SCHEMBL474150

SCHEMBL474150

CN(CCO)C(=O)c1ccc(C=C2CCN(Cc3cscn3)C(c3cccc4cccnc34)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.58
OPRM1 P35372 11/20 0.58
KCNH2 Q12809 4/20 0.39
OGA O60502 5/20 0.32
USP1 O94782 1/20 0.31

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
SCHEMBL474160 0.76 OPRD1 (0.78) OPRD1OPRM1KCNH2USP1
Azd-7268 SCHEMBL474151 0.74 OPRD1 (1.00) OPRD1OPRM1KCNH2
Azd-7268 SCHEMBL30248100 0.74 OPRD1 (1.00) OPRD1OPRM1KCNH2
SCHEMBL12432542 0.63 OPRD1 (0.72) OPRD1OPRM1KCNH2
SCHEMBL12432534 0.62 OPRD1 (0.71) OPRD1OPRM1KCNH2
SCHEMBL474620 0.62 OPRD1 (0.70) OPRD1OPRM1KCNH2
SCHEMBL474252 0.61 OPRM1 (0.62) OPRD1OPRM1KCNH2
SCHEMBL14228324 0.61 OPRD1 (0.67) OPRD1OPRM1KCNH2
SCHEMBL474169 0.60 OPRD1 (0.65) OPRD1OPRM1KCNH2
SCHEMBL474192 0.60 OPRM1 (0.64) OPRD1OPRM1

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 5 patents. 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
CN-101528739-B 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) 2011-11-30 CN disclosed
CN-101528739-A 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 an ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
EP-2079735-A1 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) 2009-07-22 EP disclosed
WO-2008048171-A1 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) 2008-04-24 WO disclosed