SCHEMBL6161294

SCHEMBL6161294

CN(C)C1(c2ccccc2)CCC(CNC(=O)CCCc2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.63
OPRM1 P35372 5/20 0.63
MPO P05164 6/20 0.58
SLC6A4 P31645 4/20 0.48
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NOTUM Q6P988 1/20 0.45
SPR P35270 1/20 0.44
HTR1A P08908 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL6159000 0.97 OPRL1 (0.62) OPRL1OPRM1MPOSLC6A4MTNR1A
SCHEMBL6163570 0.97 OPRL1 (0.61) OPRL1OPRM1MPOSLC6A4MTNR1A
Hydrochloric Acid SCHEMBL5339275 0.89 OPRL1 (0.60) OPRL1OPRM1MTNR1AMEN1KMT2A
SCHEMBL4851081 0.87 OPRL1 (0.69) OPRL1OPRM1MPOMTNR1AMTNR1B
SCHEMBL6168849 0.87 OPRL1 (0.59) OPRL1OPRM1MTNR1AMEN1KMT2A
SCHEMBL6160062 0.87 OPRL1 (0.49) OPRL1OPRM1SLC6A4MTNR1AMTNR1B
SCHEMBL6165082 0.86 OPRL1 (0.58) OPRL1OPRM1MTNR1AMEN1KMT2A
Citric Acid SCHEMBL4849030 0.81 OPRL1 (0.60) OPRL1OPRM1MTNR1AMTNR1BNOTUM
SCHEMBL4850795 0.80 OPRL1 (0.76) OPRL1OPRM1MPOMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4858864 0.79 OPRL1 (0.76) OPRL1OPRM1MPOMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562891-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-08-17 EP disclosed
WO-2004043899-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO disclosed