SCHEMBL4701398

SCHEMBL4701398

CN(C)C1(c2ccccc2)CCC(CNC(=O)ON2CC=C(c3c[nH]c4ccc(F)cc34)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.47
▸ OPRL1 P41146 2/20 0.47
▸ SLC6A4 P31645 10/20 0.44
▸ DRD2 P14416 10/20 0.42
▸ HTR1A P08908 9/20 0.42
▸ HTR7 P34969 7/20 0.42
▸ HTR6 P50406 7/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2B P41595 1/20 0.42

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 SCHEMBL4700363 0.94 OPRM1 (0.42) OPRM1OPRL1SLC6A4DRD2HTR1A
Hydrochloric Acid SCHEMBL4703735 0.91 OPRM1 (0.46) OPRM1SLC6A4DRD2HTR1AHTR7
SCHEMBL4697998 0.91 OPRM1 (0.46) OPRM1SLC6A4DRD2HTR1AHTR7
SCHEMBL4702267 0.91 OPRL1 (0.43) OPRM1OPRL1SLC6A4DRD2HTR1A
SCHEMBL4697762 0.91 HTR1A (0.49) SLC6A4DRD2HTR1AHTR2ADRD3
SCHEMBL2778302 0.88 OPRM1 (0.49) OPRM1OPRL1SLC6A4DRD2HTR1A
Citric Acid SCHEMBL4697719 0.85 DRD2 (0.43) SLC6A4DRD2HTR1AHTR2ADRD3
Citric Acid SCHEMBL4702258 0.85 OPRL1 (0.38) OPRM1OPRL1SLC6A4DRD2HTR1A
SCHEMBL4700535 0.83 HSD11B1 (0.51) OPRM1OPRL1HTR1AHTR7
Citric Acid SCHEMBL2780302 0.82 OPRM1 (0.43) OPRM1OPRL1SLC6A4DRD2HTR1A

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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