SCHEMBL4702254

SCHEMBL4702254

CN(C)C1(c2ccccc2)CCC(CNC(=O)ON2CCCC(c3c[nH]c4ccc(F)cc34)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.53
▸ OPRM1 P35372 4/20 0.46
▸ OPRL1 P41146 4/20 0.46
▸ HTR1A P08908 8/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
Citric Acid SCHEMBL4702260 0.94 HSD11B1 (0.47) HSD11B1OPRM1OPRL1HTR1A
SCHEMBL4700535 0.91 HSD11B1 (0.51) HSD11B1OPRM1OPRL1HTR1AOPRK1
SCHEMBL4698781 0.91 HSD11B1 (0.49) HSD11B1OPRM1OPRL1HTR1A
SCHEMBL4697970 0.89 HSD11B1 (0.55) HSD11B1OPRM1OPRL1HTR1AMTNR1A
Hydrochloric Acid SCHEMBL4699238 0.88 HSD11B1 (0.54) HSD11B1OPRM1OPRL1HTR1AMTNR1A
SCHEMBL2784645 0.88 HSD11B1 (0.57) HSD11B1OPRM1OPRL1HTR1AMTNR1A
SCHEMBL4700555 0.86 HSD11B1 (0.50) HSD11B1OPRM1OPRL1
Citric Acid SCHEMBL4697783 0.85 HSD11B1 (0.45) HSD11B1OPRM1OPRL1HTR1AOPRK1
Citric Acid SCHEMBL4699943 0.84 HSD11B1 (0.43) HSD11B1OPRM1OPRL1
SCHEMBL2782154 0.83 HSD11B1 (0.58) HSD11B1OPRM1OPRL1HTR1AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 — — EP claimed
EP-1560823-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2005-08-10 — — EP claimed
WO-2004043949-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2004-05-27 — — WO claimed
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 — — EP disclosed
EP-1560823-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2005-08-10 — — EP disclosed
WO-2004043949-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2004-05-27 — — WO disclosed
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