SCHEMBL4080078

SCHEMBL4080078

Cc1cc(C(N)=O)ccc1-c1ccc(CNCCC(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRD1 P41143 1/20 0.41
S1PR1 P21453 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NSD2 O96028 2/20 0.37
SCN9A Q15858 1/20 0.36
F3 P13726 1/20 0.36
CHEK2 O96017 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CNR1 P21554 1/20 0.34
FYN P06241 2/20 0.34
USP1 O94782 1/20 0.34

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 0.84 OPRM1 (0.53) OPRM1OPRK1OPRD1HDAC1F3
SCHEMBL1347785 0.83 FYN (0.45) OPRM1OPRK1OPRD1HDAC1HDAC8
Hydrochloric Acid SCHEMBL4073979 0.83 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1F3
SCHEMBL4083769 0.82 OPRM1 (0.42) OPRM1OPRK1OPRD1HDAC1HDAC6
SCHEMBL13633134 0.80 OPRK1 (0.41) OPRM1OPRK1OPRD1HDAC1HDAC8
Hydrochloric Acid SCHEMBL4072865 0.80 OPRK1 (0.40) OPRM1OPRK1OPRD1HDAC1HDAC8
SCHEMBL27764617 0.80 OPRM1 (0.46) OPRM1OPRK1OPRD1S1PR1HDAC1
SCHEMBL4079230 0.80 OPRM1 (0.40) OPRM1OPRK1OPRD1HDAC1F3
SCHEMBL4075641 0.79 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1HDAC8
SCHEMBL4078534 0.79 OPRM1 (0.41) OPRM1OPRK1OPRD1HDAC1F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101583593-A Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER PROD INC (US) 2009-11-18 CN 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
CN-101583593-A Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER PROD INC (US) 2009-11-18 CN disclosed