SCHEMBL381748

SCHEMBL381748

N[C@](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)(C(=O)O)S(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.38
ITGAV P06756 7/20 0.38
ITGA2B P08514 7/20 0.38
SFRP1 Q8N474 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
EPHX2 P34913 1/20 0.31
ENPP1 P22413 1/20 0.31
HDAC1 Q13547 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
MAPK8 P45983 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL383782 0.91 ITGB3 (0.36) ITGB3ITGAVITGA2BSFRP1ENPP1
SCHEMBL382645 0.89 ITGB3 (0.49) ITGB3ITGAVITGA2BSFRP1HDAC8
SCHEMBL27476109 0.89 ITGB3 (0.49) ITGB3ITGAVITGA2BSFRP1HDAC8
SCHEMBL381747 0.85 ITGB3 (0.37) ITGB3ITGAVITGA2BSFRP1HDAC8
SCHEMBL7650917 0.84 ITGB3 (0.47) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL27458666 0.81 ITGB3 (0.49) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL381746 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2BSFRP1HDAC8
SCHEMBL382343 0.80 ITGB3 (0.46) ITGB3ITGAVITGA2BSFRP1HDAC8
SCHEMBL381745 0.80 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL382580 0.80 ITGB3 (0.41) ITGB3ITGAVITGA2BEPHX2

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