SCHEMBL474160

SCHEMBL474160

CN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)C(I)C2)c2cccc3cccnc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.78
OPRM1 P35372 12/20 0.78
KCNH2 Q12809 4/20 0.46
PDK1 Q15118 1/20 0.32
CXCR3 P49682 1/20 0.32
USP1 O94782 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
OPRK1 P41145 1/20 0.30
GPR6 P46095 1/20 0.30

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
Azd-7268 SCHEMBL474151 0.88 OPRD1 (1.00) OPRD1OPRM1KCNH2CXCR3
Azd-7268 SCHEMBL30248100 0.88 OPRD1 (1.00) OPRD1OPRM1KCNH2CXCR3
SCHEMBL474620 0.79 OPRD1 (0.70) OPRD1OPRM1KCNH2PDK1CXCR3
SCHEMBL12432542 0.79 OPRD1 (0.72) OPRD1OPRM1KCNH2CXCR3OPRK1
SCHEMBL12432534 0.78 OPRD1 (0.71) OPRD1OPRM1KCNH2PDK1CXCR3
SCHEMBL474150 0.76 OPRD1 (0.58) OPRD1OPRM1KCNH2USP1
SCHEMBL474192 0.75 OPRM1 (0.64) OPRD1OPRM1CXCR3
SCHEMBL474169 0.74 OPRD1 (0.65) OPRD1OPRM1KCNH2OPRK1
SCHEMBL474252 0.73 OPRM1 (0.62) OPRD1OPRM1KCNH2PDK1CXCR3
SCHEMBL14228324 0.72 OPRD1 (0.67) OPRD1OPRM1KCNH2CXCR3OPRK1

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
EP-2079735-B1 N- (2 -HYDROXYETHYL) -N-METHYL- 4- (QUINOLIN- 8-YL (1- (THIAZOL-4- YLMETHYL) PIPERIDIN- 4 -YLIDENE) METHYL) BENZAMIDE, THE PROCESS OF MAKING IT AS WELL AS ITS USE FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. ASTRAZENECA AB (SE) 2012-02-01 EP disclosed