SCHEMBL382402

SCHEMBL382402

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.40
ITGAV P06756 5/20 0.40
ITGA2B P08514 3/20 0.40
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY2R P49146 1/20 0.36
MTTP P55157 1/20 0.36
KDM1A O60341 3/20 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
SCHEMBL383138 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL381721 0.88 ITGB3 (0.40) ITGB3ITGAVITGA2BMAPTGRIN2B
SCHEMBL382990 0.88 ITGB3 (0.38) ITGB3ITGAVALDH1A1MAPTSMN1; SMN2
SCHEMBL6499269 0.88 VCP (0.40) ITGB3ITGAVITGA2BALDH1A1MAPT
SCHEMBL382400 0.85 ITGB3 (0.38) ITGB3ITGAVITGA2BKMT2AALDH1A1
SCHEMBL382826 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BKMT2AALDH1A1
SCHEMBL384051 0.82 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL6797617 0.82 ITGB3 (0.42) ITGB3ITGAVITGA2BKMT2AALDH1A1
SCHEMBL442828 0.81 ITGB3 (0.43) ITGB3ITGAVITGA2BKMT2AALDH1A1
SCHEMBL384052 0.80 ITGB3 (0.41) ITGB3ITGAVITGA2BKMT2AALDH1A1

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