SCHEMBL6878138

SCHEMBL6878138

CN(C)c1cc(N[C@H]2CC[C@@H](NCc3c[nH]c4ccc(Br)cc34)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.48
ADRA2A P08913 2/20 0.47
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.40
SLC6A4 P31645 2/20 0.40
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
CCKBR P32239 2/20 0.37

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
SCHEMBL6878146 1.00 MCHR1 (0.48) MCHR1ADRA2AOPRM1OPRL1LMNA
SCHEMBL6866941 0.91 OPRM1 (0.54) MCHR1ADRA2AOPRM1OPRL1LMNA
SCHEMBL6866948 0.91 OPRM1 (0.54) MCHR1ADRA2AOPRM1OPRL1LMNA
SCHEMBL6875524 0.90 MCHR1 (0.49) MCHR1ADRA2ALMNASIGMAR1SLC6A4
SCHEMBL6466930 0.90 MCHR1 (0.49) MCHR1ADRA2ALMNASIGMAR1SLC6A4
SCHEMBL6876191 0.88 MCHR1 (0.47) MCHR1OPRM1OPRL1LMNAHTT
SCHEMBL6876199 0.88 MCHR1 (0.47) MCHR1OPRM1OPRL1LMNAHTT
SCHEMBL13793703 0.84 MCHR1 (0.66) MCHR1ADRA2AOPRM1OPRL1NPY5R
Trifluoroacetic Acid SCHEMBL6461543 0.82 LMNA (0.45) MCHR1ADRA2AOPRM1OPRL1LMNA
SCHEMBL6873072 0.80 MCHR1 (0.45) MCHR1ADRA2AOPRM1OPRL1LMNA

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