SCHEMBL6875983

SCHEMBL6875983

CN(C)c1ccnc(NC2CCC(CNCc3c[nH]c4ccc(Br)cc34)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.46
ADRA2A P08913 4/20 0.46
NPY5R Q15761 3/20 0.46
SLC6A4 P31645 2/20 0.39
HTR1A P08908 4/20 0.39
IDO1 P14902 1/20 0.39
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
JUN P05412 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL6460185 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RSLC6A4HTR1A
SCHEMBL6462830 0.89 ADRA2A (0.43) MCHR1ADRA2ASLC6A4HTR1AIDO1
SCHEMBL6868965 0.89 ADRA2A (0.43) MCHR1ADRA2ASLC6A4HTR1AIDO1
SCHEMBL6457485 0.88 EIF2AK2 (0.43) SLC6A4HTR1ASIGMAR1GPR84MTNR1A
SCHEMBL6877984 0.88 MAPK8 (0.49) MCHR1ADRA2ANPY5RHTR1AMAPK8
SCHEMBL6877981 0.88 MAPK8 (0.49) MCHR1ADRA2ANPY5RHTR1AMAPK8
SCHEMBL6880166 0.81 MCHR1 (0.49) MCHR1ADRA2ANPY5R
SCHEMBL6464914 0.81 MCHR1 (0.49) MCHR1ADRA2ANPY5R
SCHEMBL6878737 0.81 MCHR1 (0.49) MCHR1ADRA2ANPY5R
SCHEMBL6456397 0.81 MCHR1 (0.49) MCHR1ADRA2ANPY5R

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