SCHEMBL8357014

SCHEMBL8357014

O=C(O)C1CCN(CC2OC(=O)N(C3CCN(c4ccncc4)CC3)C2c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
NOTUM Q6P988 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNKS O95271 1/20 0.35
RIPK1 Q13546 2/20 0.35
LTA4H P09960 2/20 0.35

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
SCHEMBL8349143 0.92 NOTUM (0.41) ITGB3ITGA2BNOTUMF10CYP3A4
SCHEMBL8356607 0.89 HRH3 (0.36) LSSITGB3ITGA2BNOTUMF10
SCHEMBL8352050 0.89 ALDH1A1 (0.35) LSSITGB3ITGA2BNOTUMF10
SCHEMBL8349799 0.89 ITGB3 (0.41) LSSITGB3ITGA2BKDM1AMAOB
SCHEMBL8351372 0.88 IDH2 (0.43) NOTUMF10
SCHEMBL8646032 0.88 HRH3 (0.41) LSSITGB3ITGA2BF10KDM1A
SCHEMBL8352849 0.87 ITGB3 (0.39) LSSITGB3ITGA2BNOTUML3MBTL1
SCHEMBL8355474 0.85 ITGB3 (0.38) LSSITGB3ITGA2BNOTUML3MBTL1
SCHEMBL8356687 0.82 HTR7 (0.36) LSSITGB3ITGA2BF10
SCHEMBL8352568 0.81 S1PR5 (0.37) LSSITGB3ITGA2BF10

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