SCHEMBL4699256

SCHEMBL4699256

CN(C)C1(c2ccccc2)CCC(NC(=O)ON2CCC(c3c[nH]c4ccccc34)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.50
OPRM1 P35372 7/20 0.50
HSD11B1 P28845 1/20 0.49
KDM4E B2RXH2 2/20 0.48
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
CREBBP Q92793 1/20 0.48
ATM Q13315 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR2A P28223 4/20 0.41
HTR7 P34969 4/20 0.41
DRD2 P14416 2/20 0.41
KCNH2 Q12809 1/20 0.41
SLC2A1 P11166 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
Hydrochloric Acid SCHEMBL4700511 0.99 OPRL1 (0.49) OPRL1OPRM1HSD11B1KDM4EBRD4
SCHEMBL4698863 0.90 OPRL1 (0.47) OPRL1OPRM1HSD11B1KDM4EBRD4
SCHEMBL4697898 0.90 HSD11B1 (0.53) OPRL1OPRM1HSD11B1HTR2AHTR7
SCHEMBL4698021 0.89 MTNR1A (0.46) OPRL1OPRM1HSD11B1HTR2AHTR7
Hydrochloric Acid SCHEMBL4701916 0.89 OPRL1 (0.47) OPRL1OPRM1HSD11B1KDM4EBRD4
Hydrochloric Acid SCHEMBL4703646 0.89 OPRM1 (0.53) OPRL1OPRM1HSD11B1HTR2AHTR7
Hydrochloric Acid SCHEMBL4699313 0.89 MTNR1A (0.45) OPRL1OPRM1HSD11B1HTR2AHTR7
SCHEMBL4702244 0.87 HSD11B1 (0.47) OPRL1OPRM1HSD11B1KDM4EBRD4
SCHEMBL2785350 0.86 HSD11B1 (0.56) OPRL1OPRM1HSD11B1KDM4EBRD4
Hydrochloric Acid SCHEMBL2780210 0.85 HSD11B1 (0.56) OPRL1OPRM1HSD11B1KDM4EBRD4

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