SCHEMBL77988

SCHEMBL77988

CCC(=O)c1cccc(-c2ccccc2OCCN(CC)CC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
ESR1 P03372 1/20 0.47
KDR P35968 3/20 0.47
MCHR1 Q99705 6/20 0.46
HTR7 P34969 1/20 0.46
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
PTGER1 P34995 1/20 0.44

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
SCHEMBL9837607 0.86 L3MBTL1 (0.52) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL11648323 0.81 SCN1A (0.44) KDM4EALDH1A1SMN1; SMN2LMNAESR1
SCHEMBL11648334 0.81 LMNA (0.46) KDM4EALDH1A1LMNAESR1KDR
Hydrochloric Acid SCHEMBL30544876 0.78 HTR7 (0.69) KDM4EALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL10911175 0.75 THRA (0.66) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5149366 0.75 PTGER1 (0.62) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL13625994 0.73 THRA (0.70) KDM4EALDH1A1SMN1; SMN2L3MBTL1MCHR1
SCHEMBL7266813 0.73 SCN1A (0.60) KDM4EALDH1A1SMN1; SMN2LMNAESR1
SCHEMBL11666318 0.73 KDR (0.41) KDM4EALDH1A1LMNAESR1KDR
SCHEMBL29239975 0.73 PTPN11 (0.67) KDM4EALDH1A1SMN1; SMN2PTGER1

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

Appears in 2381 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299348-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. 2024-09-12 US claimed
WO-2023183932-A2 MONOBODIES BINDING TO INTERCELLULAR ADHESION MOLECULE 2 (ICAM-2) NEW YORK UNIVERSITY (US) 2023-09-28 WO claimed
US-20230093487-A1 VASODILATORS FOR TREATMENT OF HEART FAILURE NORTHEAST OHIO MEDICAL UNIV (US) 2023-03-23 US claimed
WO-2022150461-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2022-07-14 WO claimed
US-11324748-B2 Vasodilators for treatment of heart failure NORTHEAST OHIO MEDICAL UNIVERSITY (US) 2022-05-10 US claimed
EP-3485908-B1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS MEREO BIOPHARMA 5 INC (US) 2021-08-18 EP claimed
EP-3072526-B1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS ONCOMED PHARM INC (US) 2018-09-26 EP claimed
US-9982042-B2 Therapeutic combination and methods of treatment with a DLL4 antagonist and an anti-hypertensive agent ONCOMED PHARMACEUTICALS, INC. (US) 2018-05-29 US claimed
CN-107261144-A Treat the new treatment of Alzheimer disease 法奈科斯公司 2017-10-20 CN claimed
US-20170166632-A1 Therapeutic Combination and Methods of Treatment With A DLL4 Antagonist and an Anti-Hypertensive Agent ONCOMED PHARMACEUTICALS, INC. 2017-06-15 US claimed
EP-0312291-A2 Di-or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA MERCK & CO. INC. (US) 1989-04-19 EP claimed
EP-0312158-A2 Tetrapeptide renin inhibitors having novel c-terminal amino acid amide MERCK & CO. INC. (US) 1989-04-19 EP claimed
EP-0312283-A2 Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA MERCK & CO. INC. (US) 1989-04-19 EP claimed
EP-0312157-A2 Tetrapeptide renin inhibitors having a novel c-terminal amino acid MERCK & CO. INC. (US) 1989-04-19 EP claimed
US-4782043-A HYPOTENSIVES MERCK & CO., INC. (US) 1988-11-01 US claimed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP claimed
US-4584294-A Fused tricyclic lactams as angiotensin converting enzyme inhibitors and as antihypertensive agents MERCK & CO., INC. (US) 1986-04-22 US claimed
EP-0166353-A2 Benzofused lactams useful as antihypertensive agents and as cholecystokinin antagonists MERCK & CO. INC. (US) 1986-01-02 EP claimed
EP-0163237-A2 Di- and tri-peptidal renin inhibitors MERCK & CO. INC. (US) 1985-12-04 EP claimed
EP-0129189-A2 Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same MERCK & CO. INC. (US) 1984-12-27 EP claimed