SCHEMBL4075715

SCHEMBL4075715

Cc1cc(C(N)=O)ccc1-c1ccc(CNC2Cc3ccccc3C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
OPRM1 P35372 7/20 0.47
OPRD1 P41143 7/20 0.47
OPRK1 P41145 7/20 0.47
SMO Q99835 3/20 0.41
MTTP P55157 2/20 0.41
APOB P04114 1/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTR1D P28221 1/20 0.37
PRMT5 O14744 2/20 0.37

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
SCHEMBL4082951 0.88 HDAC1 (0.48) HDAC1HDAC8HDAC6OPRM1OPRD1
SCHEMBL4084233 0.85 OPRM1 (0.57) HDAC1OPRM1OPRD1OPRK1SMO
SCHEMBL12650844 0.84 HDAC1 (0.50) HDAC1HDAC8HDAC6OPRM1OPRD1
SCHEMBL4480489 0.82 OPRM1 (0.52) HDAC1OPRM1OPRD1OPRK1SMO
SCHEMBL12607941 0.81 OPRM1 (0.55) HDAC1OPRM1OPRD1OPRK1SMO
SCHEMBL4074327 0.81 OPRM1 (0.56) HDAC1OPRM1OPRD1OPRK1SMO
SCHEMBL4071959 0.81 OPRM1 (0.53) HDAC1OPRM1OPRD1OPRK1SMO
SCHEMBL4478715 0.81 OPRM1 (0.64) HDAC1OPRM1OPRD1OPRK1SMO
SCHEMBL4075949 0.80 OPRM1 (0.57) HDAC1OPRM1OPRD1OPRK1SMO
Hydrochloric Acid SCHEMBL3337917 0.80 OPRM1 (0.55) HDAC1OPRM1OPRD1OPRK1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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