SCHEMBL383372

SCHEMBL383372

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
ITGA2B P08514 3/20 0.42
USP30 Q70CQ3 6/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VDR P11473 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
NPY2R P49146 1/20 0.37
MTTP P55157 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TMPRSS15 P98073 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL7544324 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BUSP30GAA
SCHEMBL381827 0.89 USP30 (0.45) ITGB3ITGAVITGA2BUSP30
SCHEMBL382677 0.89 ITGB3 (0.43) ITGB3ITGAVITGA2BUSP30GAA
SCHEMBL6797582 0.87 ITGB3 (0.41) ITGB3ITGAVITGA2BUSP30GAA
SCHEMBL381765 0.87 ALDH1A1 (0.46) JAK2JAK3
SCHEMBL382847 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BUSP30GAA
SCHEMBL383238 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2BUSP30VDR
SCHEMBL383199 0.85 DRD2 (0.36) NPY2R
SCHEMBL6496334 0.85 CNR1 (0.43)
SCHEMBL382456 0.85 ITGB3 (0.47) ITGB3ITGAVITGA2BGAAHPGD

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