SCHEMBL4700535

SCHEMBL4700535

CN(C)C1(c2ccccc2)CCC(CNC(=O)ON2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.51
▸ OPRM1 P35372 4/20 0.49
▸ OPRL1 P41146 4/20 0.49
▸ OPRK1 P41145 2/20 0.43
▸ HTR1A P08908 4/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR1D P28221 2/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR1F P30939 1/20 0.41

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 SCHEMBL4697783 0.93 HSD11B1 (0.45) HSD11B1OPRM1OPRL1OPRK1HTR1A
SCHEMBL4702254 0.91 HSD11B1 (0.53) HSD11B1OPRM1OPRL1OPRK1HTR1A
SCHEMBL4698866 0.91 OPRL1 (0.47) HSD11B1OPRM1OPRL1OPRK1HTR1A
SCHEMBL4702244 0.90 HSD11B1 (0.47) HSD11B1OPRM1OPRL1HTR7
SCHEMBL4699899 0.90 MTNR1A (0.44) HSD11B1HTR1AHTR7
SCHEMBL4697898 0.88 HSD11B1 (0.53) HSD11B1OPRM1OPRL1OPRK1HTR1A
SCHEMBL2782154 0.88 HSD11B1 (0.58) HSD11B1OPRM1OPRL1OPRK1HTR1A
Hydrochloric Acid SCHEMBL4703646 0.88 OPRM1 (0.53) HSD11B1OPRM1OPRL1OPRK1HTR1A
SCHEMBL4700555 0.86 HSD11B1 (0.50) HSD11B1OPRM1OPRL1HTR7
Citric Acid SCHEMBL4702260 0.85 HSD11B1 (0.47) HSD11B1OPRM1OPRL1HTR1A

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 4 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-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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