SCHEMBL382847

SCHEMBL382847

O=C(CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)ONSc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
ITGA2B P08514 3/20 0.43
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
VDR P11473 1/20 0.37
NPY2R P49146 1/20 0.37
MTTP P55157 1/20 0.37
USP30 Q70CQ3 1/20 0.36
HPGD P15428 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL383372 0.86 ITGB3 (0.42) ITGB3ITGAVITGA2BVDRNPY2R
SCHEMBL383238 0.85 ITGB3 (0.52) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL382677 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL384052 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BHPGDGAA
SCHEMBL382643 0.82 ITGB3 (0.52) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7544324 0.82 ITGB3 (0.42) ITGB3ITGAVITGA2BVDRNPY2R
SCHEMBL7469287 0.79 ITGB3 (0.45) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL6797582 0.79 ITGB3 (0.41) ITGB3ITGAVITGA2BVDRNPY2R
SCHEMBL382456 0.79 ITGB3 (0.47) ITGB3ITGAVITGA2BVDRNPY2R
SCHEMBL382848 0.78 ITGB3 (0.42) ITGB3ITGAVITGA2BNPY2RMTTP

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 claimed