SCHEMBL382680

SCHEMBL382680

COc1cc(C(=O)NC[C@H](N)C(=O)OS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGAV P06756 7/20 0.51
ITGA2B P08514 7/20 0.51
TP53 P04637 4/20 0.40
LMNA P02545 2/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL383595 0.94 ITGB3 (0.49) ITGB3ITGAVITGA2BTP53LMNA
SCHEMBL382099 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2BTP53LMNA
SCHEMBL382681 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BTP53LMNA
SCHEMBL382580 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2BTP53LMNA
SCHEMBL382492 0.84 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7650917 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BLMNADRD2
SCHEMBL383667 0.81 ITGB3 (0.52) ITGB3ITGAVITGA2BTP53LMNA
SCHEMBL382342 0.80 ITGB3 (0.45) ITGB3ITGAVITGA2BTP53LMNA
SCHEMBL383596 0.80 ITGB3 (0.43) ITGB3ITGAVITGA2BTP53LMNA
SCHEMBL382927 0.79 ITGB3 (0.76) 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
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed