SCHEMBL8355474

SCHEMBL8355474

CCC1C(CN2CCC(C(=O)O)CC2)OC(=O)N1C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.38
ITGA2B P08514 11/20 0.38
LSS P48449 1/20 0.35
HTR7 P34969 1/20 0.35
F10 P00742 5/20 0.35
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
F2 P00734 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8356687 0.91 HTR7 (0.36) ITGB3ITGA2BLSSHTR7F10
SCHEMBL8352568 0.90 S1PR5 (0.37) ITGB3ITGA2BLSSHTR7F10
SCHEMBL8352849 0.89 ITGB3 (0.39) ITGB3ITGA2BLSSF10PRSS1
SCHEMBL8553468 0.88 HRH3 (0.41) ITGB3ITGA2BHTR7F10
SCHEMBL8355470 0.86 F10 (0.36) ITGB3ITGA2BHTR7F10PRSS1
SCHEMBL8357014 0.85 LSS (0.39) ITGB3ITGA2BLSSF10L3MBTL1
SCHEMBL8349143 0.83 NOTUM (0.41) ITGB3ITGA2BF10F2NOTUM
SCHEMBL8356693 0.82 HRH3 (0.40) L3MBTL1KDM4ECYP2C19
SCHEMBL8356607 0.82 HRH3 (0.36) ITGB3ITGA2BLSSF10PRSS1
SCHEMBL8352050 0.82 ALDH1A1 (0.35) ITGB3ITGA2BLSSF10PRSS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972947-A ANTICOAGULANT, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, OSTEOPOROSIS, ANTITUMOR AGENT ROCHE DIAGNOSTICS GMBH (DE) 1999-10-26 US disclosed