SCHEMBL382826

SCHEMBL382826

CC(C)(C)[C@](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGAV P06756 8/20 0.51
ITGA2B P08514 8/20 0.51
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPY2R P49146 1/20 0.37
MTTP P55157 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
VDR P11473 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL6497874 0.94 ITGB3 (0.44) ITGB3ITGAVITGA2BPKMLMNA
SCHEMBL383098 0.92 ITGB3 (0.50) ITGB3ITGAVITGA2BNPY2R
SCHEMBL382191 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL382656 0.88 ITGB3 (0.63) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL383161 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BMAPTATM
SCHEMBL382802 0.87 ITGB3 (0.37) ITGB3ITGAVITGA2BALDH1A1NPY2R
SCHEMBL6499277 0.87 SFRP1 (0.41) ITGB3ITGAVITGA2BMAPTKMT2A
SCHEMBL6500480 0.87 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL6507479 0.86 ITGB3 (0.36) ITGB3ITGAVITGA2B
SCHEMBL383668 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2BALDH1A1LMNA

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