SCHEMBL6802245

SCHEMBL6802245

O=C(O)CC(NC(=O)OCc1ccccc1)n1cnc2c(N3CCC(CNC4=NCCN4)CC3)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.49
ITGAV P06756 17/20 0.49
ITGA2B P08514 2/20 0.41
ITGB5 P18084 1/20 0.41
GRIN2B Q13224 3/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4640260 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802240 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802237 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL4641449 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6804912 0.85 ITGB3 (0.45) ITGB3ITGAV
SCHEMBL6811574 0.84 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB5
SCHEMBL6811105 0.83 CNR1 (0.44) ITGB3ITGAV
SCHEMBL6810562 0.80 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL6810547 0.78 ITGB3 (0.40) ITGB3ITGAV
SCHEMBL6805979 0.76 CNR1 (0.41) ITGB3ITGAV

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-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed