SCHEMBL4083769

SCHEMBL4083769

Cc1cc(-c2ccc(C(N)=O)cc2C)ccc1CNCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
HDAC1 Q13547 1/20 0.38
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
F3 P13726 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B1 P14061 1/20 0.36
KLKB1 P03952 1/20 0.35
LRRK2 Q5S007 1/20 0.35
NSD2 O96028 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
HTR1D P28221 1/20 0.34
LMNA P02545 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
SCHEMBL13633134 0.91 OPRK1 (0.41) OPRM1OPRD1OPRK1HDAC1F3
SCHEMBL4079230 0.90 OPRM1 (0.40) OPRM1OPRD1OPRK1HDAC1CD274
Hydrochloric Acid SCHEMBL4072865 0.90 OPRK1 (0.40) OPRM1OPRD1OPRK1HDAC1F3
SCHEMBL4073644 0.86 OPRM1 (0.53) OPRM1OPRD1OPRK1HDAC1PDCD1
Hydrochloric Acid SCHEMBL4073979 0.85 OPRM1 (0.52) OPRM1OPRD1OPRK1HDAC1PDCD1
SCHEMBL4080078 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1HDAC1F3
SCHEMBL4075641 0.81 OPRM1 (0.52) OPRM1OPRD1OPRK1HDAC1F3
SCHEMBL4078534 0.81 OPRM1 (0.41) OPRM1OPRD1OPRK1HDAC1CD274
Hydrochloric Acid SCHEMBL4475141 0.80 OPRM1 (0.51) OPRM1OPRD1OPRK1HDAC1F3
SCHEMBL4081673 0.80 OPRM1 (0.41) OPRM1OPRD1OPRK1HDAC1F3

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