SCHEMBL7470167

SCHEMBL7470167

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(C(=O)NCCC(=O)ONS(=O)(=O)c3ccccc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
CCR2 P41597 1/20 0.40
BTK Q06187 4/20 0.40
F10 P00742 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
USP30 Q70CQ3 1/20 0.39
CCR5 P51681 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MAP4K4 O95819 2/20 0.38
CASR P41180 3/20 0.38
JAK3 P52333 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.37
SFRP1 Q8N474 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
SCHEMBL7664584 0.91 CCR5 (0.42) ITGB3ITGAVITGA2BOPRM1CCR5
SCHEMBL7462626 0.87 ITGB3 (0.46) ITGB3ITGAVITGA2BCCR2OPRM1
SCHEMBL7470398 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BCCR2BTK
SCHEMBL7048411 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BCCR2BTK
SCHEMBL7465258 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BCCR2BTK
SCHEMBL7462239 0.81 ITGB3 (0.49) ITGB3ITGAVITGA2BCCR2CASR
SCHEMBL7468616 0.80 ITGB3 (0.47) ITGB3ITGAVITGA2BCCR2BTK
SCHEMBL382702 0.78 ITGB3 (0.46) ITGB3ITGAVITGA2BCASR
SCHEMBL382545 0.78 ITGB3 (0.46) ITGB3ITGAVITGA2BCASR
SCHEMBL7655428 0.77 HPGDS (0.44) ITGB3ITGAVITGA2BCASRKMT2A

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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed