SCHEMBL1648472

SCHEMBL1648472

O=C(O)CCc1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
TBXAS1 P24557 9/20 0.44
FFAR1 O14842 2/20 0.42
VNN1 O95497 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 1/20 0.39
MC4R P32245 1/20 0.39
ADRA1A P35348 1/20 0.39
MC3R P41968 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1649008 0.89 TBXAS1 (0.47) KDM4ENAPRTHCAR2TBXAS1VNN1
SCHEMBL1648470 0.87 TBXAS1 (0.54) KDM4ENAPRTHCAR2TBXAS1
SCHEMBL27942339 0.86 HDAC3 (0.42) KDM4ENAPRTHCAR2VNN1HDAC3
SCHEMBL1649182 0.85 TBXAS1 (0.55) TBXAS1TSHR
SCHEMBL1649178 0.85 TBXAS1 (0.55) TBXAS1TSHR
SCHEMBL1648907 0.85 TBXAS1 (0.55) TBXAS1TSHR
SCHEMBL1648744 0.85 TBXAS1 (0.55) TBXAS1TSHR
SCHEMBL1649502 0.85 TBXAS1 (0.55) TBXAS1TSHR
SCHEMBL1838869 0.82 ADORA3 (0.47) KDM4ENAPRTHCAR2TBXAS1VNN1
SCHEMBL1532612 0.82 HDAC3 (0.41) KDM4ENAPRTHCAR2VNN1HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP claimed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US claimed
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 EP claimed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP claimed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
JP-11209351-A None JP disclosed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
CN-117701552-B Engineering strain screening method for high-yield 5-aminolevulinic acid, engineering strain and application 山东大学 2025-02-14 CN disclosed
CN-119264000-A Stabilizer for 5-ALA liquid 广东溢多利生物科技股份有限公司 2025-01-07 CN disclosed
CN-117701480-A High-throughput screening system and method for high-yield bacteria of 5-aminolevulinic acid and application of high-throughput screening system and method 山东大学 2024-03-15 CN disclosed
CN-117701552-A Engineering strain screening method for high-yield 5-aminolevulinic acid, engineering strain and application 山东大学 2024-03-15 CN disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
EP-0369743-B1 Heterocyclic amides ZENECA LTD (GB) 1995-04-19 EP disclosed
CN-1094718-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 CN disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed
EP-0369743-A2 Heterocyclic amides ZENECA LIMITED (GB) 1990-05-23 EP disclosed
US-4638005-A ELECTRON CARRIERS IN THE PHOTOENZYMATIC PRODUCTION OF HYDROGEN AND AMMONIA THE COCA-COLA COMPANY 1987-01-20 US disclosed