SCHEMBL382401

SCHEMBL382401

CC(C)(C)N(C(=O)OCc1ccccc1)[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGAV P06756 8/20 0.46
ITGA2B P08514 7/20 0.46
NPY2R P49146 1/20 0.36
MTTP P55157 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT5 O14744 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL383137 0.91 ITGB3 (0.49) ITGB3ITGAVITGA2BPRMT5LMNA
SCHEMBL381720 0.89 ITGB3 (0.43) ITGB3ITGAVITGA2BPRMT5MAPT
SCHEMBL382989 0.88 ITGB3 (0.36) ITGB3ITGAVITGA2BPRMT5ALDH1A1
SCHEMBL6499257 0.88 PRMT5 (0.38) ITGB3ITGAVITGA2BPRMT5ALDH1A1
SCHEMBL382399 0.83 ITGB3 (0.40) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL384051 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7544319 0.80 ITGB3 (0.49) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL383374 0.79 ITGB3 (0.55) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382402 0.79 ITGB3 (0.40) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382971 0.79 ITGB3 (0.44) ITGB3ITGAVITGA2BMAPTLMNA

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