SCHEMBL6663692

SCHEMBL6663692

CC(=O)OCCOc1ccccc1C1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.58
OPRM1 P35372 1/20 0.54
CCR1 P32246 12/20 0.53
CCR3 P51677 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6662217 0.87 OPRM1 (0.53) KCNA3OPRM1CCR1RAB9ANPSR1
SCHEMBL6663581 0.84 OPRM1 (0.59) KCNA3OPRM1CCR1RAB9ANPSR1
SCHEMBL6661392 0.79 KCNA3 (0.77) KCNA3CCR1CCR3RAB9ANPSR1
SCHEMBL6667218 0.79 OPRM1 (0.58) OPRM1CCR1RAB9ANPSR1
SCHEMBL6662830 0.75 OPRM1 (0.57) KCNA3OPRM1CCR1RAB9ANPSR1
SCHEMBL11601787 0.74 KCNA3 (1.00) KCNA3CCR1CCR3
Fetoxylate SCHEMBL1815870 0.73 KCNA3 (0.75) KCNA3OPRM1CCR1RAB9ANPSR1
SCHEMBL6665569 0.72 OPRM1 (0.49) KCNA3OPRM1CCR1RAB9ANPSR1
SCHEMBL6661040 0.72 OPRM1 (0.61) OPRM1CCR1RAB9ANPSR1
Fetoxylate SCHEMBL124040 0.72 KCNA3 (0.74) KCNA3OPRM1CCR1RAB9ANPSR1

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
EP-1097924-B1 4-hydroxy-4-phenylpiperidine derivatives having opioid agonist activity and pharmaceuticals containing the same SSP CO LTD (JP) 2004-08-25 EP disclosed
US-6362203-B1 ANALGESICS SSP CO., LTD (JP) 2002-03-26 US disclosed
EP-1097924-A1 4-hydroxy-4-phenylpiperidine derivatives having -opioid agonist activity and pharmaceuticals containing the same SSP Co., Ltd. (JP) 2001-05-09 EP disclosed