SCHEMBL460323

SCHEMBL460323

CC(C)(C)C(CC(=O)O)(NC(=O)c1ccc(N2CCC(Nc3nc4ncccc4[nH]3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.41
ITGA2B P08514 6/20 0.41
ITGAV P06756 6/20 0.41
KCNH2 Q12809 1/20 0.37
SFRP1 Q8N474 1/20 0.36
CASR P41180 7/20 0.35
AURKA O14965 2/20 0.34
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FLT3 P36888 1/20 0.32

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
SCHEMBL382571 0.91 ITGB3 (0.42) ITGB3ITGA2BITGAVKCNH2SFRP1
SCHEMBL383159 0.86 ITGB3 (0.44) ITGB3ITGA2BITGAVSFRP1CASR
SCHEMBL460325 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVKCNH2SFRP1
SCHEMBL382383 0.83 ITGB3 (0.47) ITGB3ITGA2BITGAVKCNH2SFRP1
SCHEMBL383583 0.79 ITGB3 (0.61) ITGB3ITGA2BITGAVSFRP1CASR
SCHEMBL382384 0.79 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL382445 0.79 ITGB3 (0.46) ITGB3ITGA2BITGAVSFRP1CASR
SCHEMBL7655429 0.78 ITGB3 (0.44) ITGB3ITGA2BITGAVKCNH2SFRP1
SCHEMBL6499251 0.78 SFRP1 (0.42) ITGB3ITGA2BITGAVSFRP1AURKA
SCHEMBL383467 0.78 CCR5 (0.42) ITGB3ITGA2BITGAVSFRP1GLA

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
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed