SCHEMBL4081703

SCHEMBL4081703

CCc1cc(C(N)=O)ccc1-c1ccc(CNCCC(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
OPRK1 P41145 5/20 0.52
OPRD1 P41143 4/20 0.52
HDAC1 Q13547 4/20 0.47
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CA2 P00918 1/20 0.37
F3 P13726 1/20 0.37
SRD5A2 P31213 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTAFR P25105 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 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
SCHEMBL4073644 0.87 OPRM1 (0.53) OPRM1OPRK1OPRD1HDAC1ITGB1
SCHEMBL4496256 0.86 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1ITGB1
Hydrochloric Acid SCHEMBL4073979 0.86 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1ITGB1
SCHEMBL1345547 0.80 HDAC1 (0.58) OPRM1OPRK1OPRD1HDAC1CA2
SCHEMBL4075641 0.80 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1CA2
Hydrochloric Acid SCHEMBL4475141 0.79 OPRM1 (0.51) OPRM1OPRK1OPRD1HDAC1CA2
SCHEMBL4083769 0.76 OPRM1 (0.42) OPRM1OPRK1OPRD1HDAC1ITGB1
SCHEMBL4249213 0.76 OPRM1 (0.48) OPRM1OPRK1OPRD1HDAC1SLC6A2
SCHEMBL4080426 0.75 OPRM1 (0.48) OPRM1OPRK1OPRD1HDAC1ITGB1
SCHEMBL1347921 0.75 OPRM1 (0.46) OPRM1OPRK1OPRD1HDAC1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US claimed
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