SCHEMBL381747

SCHEMBL381747

NC(CC(=O)O)(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)S(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.37
ITGAV P06756 6/20 0.37
ITGA2B P08514 6/20 0.37
SFRP1 Q8N474 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ENPP1 P22413 1/20 0.31
HDAC1 Q13547 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL382644 0.89 ITGB3 (0.46) ITGB3ITGAVITGA2BSFRP1HDAC8
SCHEMBL381748 0.85 ITGB3 (0.38) ITGB3ITGAVITGA2BSFRP1HDAC8
SCHEMBL7650900 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL383782 0.81 ITGB3 (0.36) ITGB3ITGAVITGA2BSFRP1ENPP1
SCHEMBL383200 0.81 DRD2 (0.34) HDAC1DRD2DRD3
SCHEMBL382429 0.79 ITGB3 (0.45) ITGB3ITGAVITGA2BSFRP1LMNA
SCHEMBL383236 0.79 ITGB3 (0.43) ITGB3ITGAVITGA2BHDAC8DRD2
SCHEMBL381746 0.78 ITGB3 (0.41) ITGB3ITGAVITGA2BSFRP1HDAC8
SCHEMBL382800 0.78 ITGB3 (0.36) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL381745 0.77 ITGB3 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed