SCHEMBL4476154

SCHEMBL4476154

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
TBK1 Q9UHD2 1/20 0.41
CHEK1 O14757 1/20 0.40
HTR1D P28221 1/20 0.39
OPRM1 P35372 5/20 0.39
OPRK1 P41145 5/20 0.39
OPRD1 P41143 4/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
RARB P10826 1/20 0.39
S1PR1 P21453 2/20 0.39
PRKD1 Q15139 1/20 0.39
DGAT1 O75907 2/20 0.38
SOAT1 P35610 2/20 0.38
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 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 0.85 OPRM1 (0.53) HDAC1HTR1DOPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL4073979 0.84 OPRM1 (0.52) HDAC1HTR1DOPRM1OPRK1OPRD1
SCHEMBL4498120 0.83 HDAC1 (0.53) HDAC1OPRM1OPRK1OPRD1GRIN2D
SCHEMBL4487434 0.80 SMN1; SMN2 (0.50) HDAC1OPRM1OPRK1OPRD1ADRB1
SCHEMBL4074968 0.80 OPRM1 (0.60) HDAC1OPRM1OPRK1OPRD1ADRB1
SCHEMBL4071701 0.79 OPRM1 (0.47) HTR1DOPRM1OPRK1OPRD1ADRB1
SCHEMBL4081861 0.78 OPRM1 (0.53) HDAC1OPRM1OPRK1OPRD1ADRB1
SCHEMBL4075641 0.75 OPRM1 (0.52) HDAC1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL4481852 0.74 OPRM1 (0.57) OPRM1OPRK1OPRD1RARBPDCD1
Hydrochloric Acid SCHEMBL4475141 0.74 OPRM1 (0.51) HDAC1OPRM1OPRK1OPRD1L3MBTL1

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 1 patent. 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