SCHEMBL7664091

SCHEMBL7664091

COC(=O)CC1Nc2ccc(-c3nnc(-c4nc5ccccc5[nH]4)s3)cc2CN(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.53
ITGAV P06756 18/20 0.53
ITGA2B P08514 5/20 0.52

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
SCHEMBL7673640 0.91 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7668062 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7668738 0.78 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL8328924 0.78 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7672664 0.78 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7664124 0.77 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL7666176 0.77 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7663600 0.75 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL7663556 0.75 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL7668523 0.75 ITGB3 (0.63) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495545-B1 ANTIOSTEOPOROTIC, ANTIRESTENOTIC, ANTICARCINOGENIC AND ANTIATHEROSCLEROTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-6339083-B1 FOR THERAPY OF OSTEOPOROSIS, RESTENOSIS, CARCINOSES AND/OR ARTERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-15 US disclosed