SCHEMBL7664124

SCHEMBL7664124

CN1Cc2cc(-c3nnc(-c4nc5ccccc5[nH]4)s3)ccc2N(C)C(CC(=O)O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.42
ITGAV P06756 17/20 0.42
ITGA2B P08514 4/20 0.41
DGAT1 O75907 2/20 0.36
KCNH2 Q12809 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
ADORA2A P29274 1/20 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
SCHEMBL7673640 0.84 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7668760 0.77 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL7664091 0.77 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7672674 0.75 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7361297 0.75 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7663613 0.75 ITGB3 (0.37) ITGB3ITGAVITGA2BDGAT1KCNH2
SCHEMBL7360585 0.75 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL8328325 0.74 ITGB3 (0.40) ITGB3ITGAVITGA2BDGAT1KCNH2
SCHEMBL8328924 0.70 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL8525562 0.70 ITGB3 (0.39) 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