SCHEMBL23719006

SCHEMBL23719006

CN(C)C1(c2ccccc2)CCN(C(=O)CCc2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRL1 P41146 1/20 0.51
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
USP7 Q93009 1/20 0.45
ATM Q13315 1/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
FKBP1A P62942 1/20 0.44
TACR1 P25103 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL23718995 0.88 NPC1 (0.60) OPRM1OPRL1OPRD1OPRK1NPC1
SCHEMBL23719017 0.87 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL23719011 0.82 EPHX2 (0.53) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL23719100 0.81 GFER (0.59) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL13733764 0.78 OPRM1 (0.62) OPRM1OPRL1OPRK1
SCHEMBL2469668 0.78 PLAAT3 (0.54) OPRM1OPRD1MEN1KMT2AMAPT
SCHEMBL10254031 0.78 NAAA (0.48) OPRD1OPRK1MEN1KMT2AMAPT
SCHEMBL17444449 0.77 OPRM1 (0.79) OPRM1OPRL1OPRD1OPRK1NPC1
SCHEMBL17444448 0.77 OPRM1 (0.79) OPRM1OPRL1OPRD1OPRK1NPC1
Hydrochloric Acid SCHEMBL3401730 0.77 OPRM1 (0.60) OPRM1OPRL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858439-A1 AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-08-04 EP disclosed