SCHEMBL4702267

SCHEMBL4702267

CN(C)C1(c2ccccc2)CCC(CNC(=O)ON2CC=C(c3c[nH]c4ccccc34)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.43
▸ OPRM1 P35372 3/20 0.43
▸ LMNA P02545 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ MAPT P10636 9/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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 SCHEMBL4702258 0.93 OPRL1 (0.38) OPRL1OPRM1LMNAKDM4EALOX15
SCHEMBL4701398 0.91 OPRM1 (0.47) OPRL1OPRM1HTR1ASLC6A4HTR6
Hydrochloric Acid SCHEMBL4703735 0.91 OPRM1 (0.46) OPRM1MAPTHTR1ASLC6A4HTR6
SCHEMBL4697998 0.91 OPRM1 (0.46) OPRM1MAPTHTR1ASLC6A4HTR6
SCHEMBL4697762 0.91 HTR1A (0.49) HTR1ASLC6A4DRD2HTR2A
SCHEMBL2782427 0.86 MAPT (0.53) OPRL1OPRM1LMNAKDM4EALOX15
Citric Acid SCHEMBL4700363 0.85 OPRM1 (0.42) OPRL1OPRM1HTR1ASLC6A4HTR6
Citric Acid SCHEMBL4697719 0.85 DRD2 (0.43) HTR1ASLC6A4DRD2HTR2A
SCHEMBL4702244 0.81 HSD11B1 (0.47) OPRL1OPRM1KDM4EPOLBDRD2
Citric Acid SCHEMBL2781326 0.80 MAPT (0.47) OPRL1OPRM1LMNAKDM4EALOX15

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-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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