SCHEMBL4081861

SCHEMBL4081861

Cc1cc(C(N)=O)ccc1-c1ccc(CNCCCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.53
OPRD1 P41143 5/20 0.53
OPRK1 P41145 5/20 0.53
RARB P10826 1/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL4074968 0.93 OPRM1 (0.60) OPRM1OPRD1OPRK1RARBHDAC1
SCHEMBL4487434 0.90 SMN1; SMN2 (0.50) OPRM1OPRD1OPRK1RARBHDAC1
SCHEMBL4498120 0.83 HDAC1 (0.53) OPRM1OPRD1OPRK1HDAC1HDAC8
SCHEMBL1347689 0.81 HDAC1 (0.61) OPRM1OPRD1OPRK1HDAC1HDAC8
SCHEMBL4073644 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1RARBHDAC1
SCHEMBL1347863 0.80 OPRM1 (0.52) OPRM1OPRD1OPRK1HDAC1ADRB1
Hydrochloric Acid SCHEMBL4073979 0.80 OPRM1 (0.52) OPRM1OPRD1OPRK1RARBHDAC1
SCHEMBL4486859 0.79 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL4071701 0.79 OPRM1 (0.47) OPRM1OPRD1OPRK1RARBADRB1
SCHEMBL4074391 0.79 HDAC1 (0.56) HDAC1ADRB1ADRB3ROCK1

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