SCHEMBL383255

SCHEMBL383255

COC(=O)c1ccc(N2CCC(N(Cc3ccc(OC)cc3)C3=NCCCN3)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
ITGA2B P08514 3/20 0.39
HTR2A P28223 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
F10 P00742 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7659624 0.86 ITGB3 (0.41) MAPTITGB3ITGAVITGA2BF10
SCHEMBL7659630 0.86 ITGB3 (0.48) MAPTITGB3ITGAVITGA2BF10
SCHEMBL7656305 0.84 ITGB3 (0.51) MAPTITGB3ITGAVITGA2BF10
SCHEMBL7656296 0.84 ITGB3 (0.39) MAPTITGB3ITGAVITGA2BF10
SCHEMBL382789 0.82 ITGB3 (0.45) MAPTITGB3ITGAVITGA2BF10
SCHEMBL382788 0.82 ITGB3 (0.39) MAPTITGB3ITGAVITGA2BF10
SCHEMBL7660996 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7660986 0.80 ITGB3 (0.40) ITGB3ITGAVITGA2BSMN1; SMN2F10
SCHEMBL382971 0.79 ITGB3 (0.44) MAPTITGB3ITGAVITGA2BHTR2A
SCHEMBL382970 0.78 ITGB3 (0.39) MAPTITGB3ITGAVITGA2BHTR2A

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 4 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 disclosed
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN 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
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed