SCHEMBL4075498

SCHEMBL4075498

Cc1cc(C(N)=O)ccc1-c1ccc(CNCC2Cc3ccccc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRD1 P41143 5/20 0.43
OPRK1 P41145 5/20 0.43
HTR1D P28221 1/20 0.41
HDAC1 Q13547 4/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RARB P10826 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
AVPR2 P30518 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 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
SCHEMBL4073259 0.86 MEN1 (0.41) OPRM1OPRD1OPRK1HTR1D
SCHEMBL4084233 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1HTR1DHDAC1
SCHEMBL4487434 0.84 SMN1; SMN2 (0.50) OPRM1OPRD1OPRK1HDAC1RARB
SCHEMBL4071701 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1HTR1DRARB
SCHEMBL4074968 0.79 OPRM1 (0.60) OPRM1OPRD1OPRK1HDAC1RARB
SCHEMBL4501428 0.77 KDM4E (0.48) OPRM1OPRD1OPRK1HDAC1PDE4A
SCHEMBL4490082 0.77 KDM4E (0.48) OPRM1OPRD1OPRK1HDAC1PDE4A
SCHEMBL4485862 0.77 KDM4E (0.48) OPRM1OPRD1OPRK1HDAC1PDE4A
SCHEMBL4073993 0.77 SCN3A (0.42) HDAC1RARB
SCHEMBL4081861 0.77 OPRM1 (0.53) OPRM1OPRD1OPRK1HDAC1PDE4A

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