SCHEMBL6868965

SCHEMBL6868965

CN(C)c1ccnc(NC2CCC(NCc3c[nH]c4ccc(Br)cc34)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
HTR1A P08908 6/20 0.41
SLC6A4 P31645 3/20 0.40
IDO1 P14902 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
HTR2A P28223 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL6462830 1.00 ADRA2A (0.43) ADRA2AMCHR1HTR1ASLC6A4IDO1
SCHEMBL6460185 0.89 MCHR1 (0.46) ADRA2AMCHR1HTR1ASLC6A4IDO1
SCHEMBL6875983 0.89 MCHR1 (0.46) ADRA2AMCHR1HTR1ASLC6A4IDO1
SCHEMBL6875158 0.87 EIF2AK2 (0.46) HTR1ASLC6A4GPR84LMNAKMT2A
SCHEMBL6875163 0.87 EIF2AK2 (0.46) HTR1ASLC6A4GPR84LMNAKMT2A
SCHEMBL6875264 0.87 LMNA (0.54) ADRA2AMCHR1HTR1AOPRM1OPRL1
SCHEMBL13793703 0.79 MCHR1 (0.66) ADRA2AMCHR1HTR1AOPRM1OPRL1
SCHEMBL6874250 0.79 ADRA2A (0.46) ADRA2AMCHR1HTR1ASLC6A4IDO1
SCHEMBL6457965 0.79 ADRA2A (0.46) ADRA2AMCHR1HTR1ASLC6A4IDO1
SCHEMBL6462492 0.78 MCHR1 (0.66) ADRA2AMCHR1

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