SCHEMBL6866941

SCHEMBL6866941

CN(C)c1cc(N[C@H]2CC[C@@H](NCc3c[nH]c4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.54
OPRL1 P41146 3/20 0.54
LMNA P02545 6/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
MCHR1 Q99705 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SSTR3 P32745 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 2/20 0.39

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
SCHEMBL6866948 1.00 OPRM1 (0.54) OPRM1OPRL1LMNAKMT2AHTT
SCHEMBL6878138 0.91 MCHR1 (0.48) OPRM1OPRL1LMNAKMT2AHTT
SCHEMBL6878146 0.91 MCHR1 (0.48) OPRM1OPRL1LMNAKMT2AHTT
SCHEMBL6876199 0.89 MCHR1 (0.47) OPRM1OPRL1LMNAKMT2AHTT
SCHEMBL6876191 0.89 MCHR1 (0.47) OPRM1OPRL1LMNAKMT2AHTT
SCHEMBL6873072 0.89 MCHR1 (0.45) OPRM1OPRL1LMNAKMT2AHTT
SCHEMBL6873067 0.89 MCHR1 (0.45) OPRM1OPRL1LMNAKMT2AHTT
SCHEMBL6459479 0.87 SIGMAR1 (0.52) KMT2AHTTMCHR1SMN1; SMN2ALDH1A1
SCHEMBL6459469 0.87 SIGMAR1 (0.52) KMT2AHTTMCHR1SMN1; SMN2ALDH1A1
SCHEMBL6866938 0.84 MCHR1 (0.55) LMNAKMT2AMCHR1SMN1; SMN2KDM4E

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed