SCHEMBL4078358

SCHEMBL4078358

NC(=O)c1cccc(-c2ccc(CNCCC3CCOCC3)cc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
CSNK2A1 P68400 2/20 0.42
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
LRRK2 Q5S007 1/20 0.39
SHMT1 P34896 1/20 0.38
CCNT1 O60563 1/20 0.38
TMPRSS2 O15393 2/20 0.38
F10 P00742 2/20 0.38
TMPRSS6 Q8IU80 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
PLAU P00749 1/20 0.38
EPHX2 P34913 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
OPRL1 P41146 2/20 0.36

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
SCHEMBL4075945 0.89 OPRM1 (0.57) OPRM1OPRD1OPRK1CCNT1EPHX2
SCHEMBL4083677 0.88 OPRM1 (0.57) OPRM1OPRD1OPRK1CSNK2A1EPHX2
SCHEMBL12608136 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1CSNK2A1SHMT1
Hydrochloric Acid SCHEMBL3340392 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1CSNK2A1SHMT1
SCHEMBL4071718 0.82 MAP4K4 (0.41) OPRM1OPRD1OPRK1CSNK2A1CCNT1
SCHEMBL4080420 0.80 OPRM1 (0.45) OPRM1OPRD1OPRK1EPHX2CHRM2
SCHEMBL4483783 0.80 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM2CHRM1
SCHEMBL4081761 0.80 OPRM1 (0.46) OPRM1OPRD1OPRK1EPHX2CHRM2
SCHEMBL1348506 0.79 OPRM1 (0.42) OPRM1OPRD1OPRK1LRRK2SHMT1
SCHEMBL1348140 0.79 FAAH (0.45) OPRM1OPRD1OPRK1EPHX2FAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed