SCHEMBL7872456

SCHEMBL7872456

COCOC1CCN([C@H](CO)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 2/20 0.42
▸ MCHR1 Q99705 1/20 0.41
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ CHRM2 P08172 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6979034 1.00 OPRL1 (0.42) OPRL1MCHR1OPRM1OPRD1OPRK1
SCHEMBL8508323 1.00 OPRL1 (0.42) OPRL1MCHR1OPRM1OPRD1OPRK1
SCHEMBL6974165 1.00 OPRL1 (0.42) OPRL1MCHR1OPRM1OPRD1OPRK1
SCHEMBL6974169 1.00 OPRL1 (0.42) OPRL1MCHR1OPRM1OPRD1OPRK1
SCHEMBL7835369 0.89 MCHR1 (0.39) OPRL1MCHR1OPRM1OPRD1OPRK1
SCHEMBL6982504 0.89 HRH3 (0.34) MCHR1HRH3KDM4EPOLBKMT2A
SCHEMBL8475345 0.89 HRH3 (0.34) MCHR1HRH3KDM4EPOLBKMT2A
SCHEMBL6982502 0.89 HRH3 (0.34) MCHR1HRH3KDM4EPOLBKMT2A
SCHEMBL6981689 0.87 SLC6A9 (0.36) OPRL1MCHR1OPRM1OPRD1OPRK1
SCHEMBL8473770 0.87 SLC6A9 (0.36) OPRL1MCHR1OPRM1OPRD1OPRK1

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-6313302-B2 OPIOID KAPPA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; ANALGESICS, ANTIINFLAMMATORY AGENTS, ANESTHETICS, AND NEUROPROTECTANTS PFIZER INC. 2001-11-06 — — US disclosed
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