SCHEMBL3729307

SCHEMBL3729307

COC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.56
LMNA P02545 2/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
THRB P10828 1/20 0.56
CHRM1 P11229 1/20 0.56
BLM P54132 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
NR1H2 P55055 2/20 0.53
ESR2 Q92731 1/20 0.43
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40

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
SCHEMBL22124338 0.95 LMNA (0.51) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL26134595 0.87 CHRM3 (0.48) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL2270068 0.85 ESR2 (0.45) LMNATHRBNR1H2ESR2MAPK1
SCHEMBL6216656 0.85 NR1H2 (0.47) LMNATHRBNR1H2ESR2MAPK1
SCHEMBL6218755 0.85 ADORA1 (0.49) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL14339677 0.85 CHRM3 (0.52) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL20314993 0.81 ESR2 (0.42) LMNATHRBNR1H2ESR2MAPK1
SCHEMBL25043924 0.81 GPR119 (0.45) LMNANR1H2ESR2MAPK1USP2
SCHEMBL14972445 0.81 NR1H2 (0.43) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL2420231 0.81 CHRM3 (0.58) CHRM3LMNACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-8846907-B2 Spiro-condensed indoline derivatives as pesticides SYNGENTA CROP PROTECTION LLC (US) 2014-09-30 US disclosed
US-6046214-A USEFUL IN TREATMENT AND/OR PREVENTION OF DIABETES, AND ESPECIALLY NON-INSULIN DEPENDENT DIABETES (NIDDM OR TYPE 2 DIABETES) INCLUDING OVERNIGHT OR MEAL TREATMENT AND TREATMENT OR PREVENTION OF LONGTERM COMPLICATIONS, SUCH AS RETINOPATHY NOVO NORDISK A/S (DK) 2000-04-04 US disclosed
EP-0983239-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-03-08 EP disclosed
WO-1998050359-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-11-12 WO disclosed
EP-0328200-B1 Five-membered ring systems with bonded azacyclic ring substituents MERCK SHARP & DOHME (GB) 1993-12-08 EP disclosed
US-5134146-A SUBSTITUTED OXADIAZOLES AND THIADIAZOLES FOR USE IN THE TREATMENT OF GLAUCOMA MERCK SHARP AND DOHME LTD. (GB) 1992-07-28 US disclosed
EP-0459568-A2 Substituted oxadiazoles and thiadiazoles for use in the treatment of glaucoma and novel compounds having such use MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP disclosed
US-5041456-A Pharmaceutically useful 3-(indol-3-yl)-1,2,4-oxa- and thiadiazoles substituted in the 5-position by an amino containing group MERCK SHARP & DOHME LTD. (GB) 1991-08-20 US disclosed
US-4952587-A PSYCHOLOGICAL DISORDERS, MIGRAINES, ALZHEIMER*S MERCK SHARP & DOHME LTD. (GB) 1990-08-28 US disclosed
EP-0328200-A1 Five-membered ring systems with bonded azacyclic ring substituents MERCK SHARP & DOHME LTD. (GB) 1989-08-16 EP disclosed
EP-0323864-A2 Lipophilic oxadiazoles MERCK SHARP & DOHME LTD. (GB) 1989-07-12 EP disclosed