SCHEMBL6873136

SCHEMBL6873136

CN(C)c1cc(NC2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.60
ADRA2A P08913 14/20 0.60
ADRA1A P35348 2/20 0.53
HRH1 P35367 2/20 0.53
HTR1A P08908 1/20 0.53
HTR2B P41595 1/20 0.53
NPY5R Q15761 1/20 0.53
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6873134 1.00 MCHR1 (0.60) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6461614 0.93 MCHR1 (0.61) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6461619 0.93 MCHR1 (0.61) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6878637 0.92 MCHR1 (0.72) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6878641 0.92 MCHR1 (0.72) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6879865 0.91 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6879862 0.91 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6461979 0.90 MCHR1 (0.68) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6461973 0.90 MCHR1 (0.68) MCHR1ADRA2AADRA1AHRH1HTR1A
SCHEMBL6465066 0.90 MCHR1 (0.58) MCHR1ADRA2AADRA1AHRH1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed