SCHEMBL6877892

SCHEMBL6877892

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)Nc3ccc(C#N)cc3)CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.42
ADRA2A P08913 2/20 0.42
NPY5R Q15761 4/20 0.41
EPHX1 P07099 2/20 0.40
AR P10275 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CSF1R P07333 1/20 0.38
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
ROCK2 O75116 2/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL6877903 1.00 MCHR1 (0.42) MCHR1ADRA2ANPY5REPHX1AR
SCHEMBL6874935 0.90 NPY5R (0.43) MCHR1ADRA2ANPY5REPHX1NPC1
SCHEMBL6874942 0.90 NPY5R (0.43) MCHR1ADRA2ANPY5REPHX1NPC1
SCHEMBL6878082 0.89 ALDH1A1 (0.46) MCHR1ADRA2ANPY5REPHX1NPC1
SCHEMBL6878078 0.89 ALDH1A1 (0.46) MCHR1ADRA2ANPY5REPHX1NPC1
SCHEMBL6878657 0.89 EPHX1 (0.49) MCHR1ADRA2AEPHX1
SCHEMBL6878665 0.89 EPHX1 (0.49) MCHR1ADRA2AEPHX1
SCHEMBL7043797 0.88 AR (0.53) MCHR1ADRA2ANPY5RAR
SCHEMBL7043795 0.88 AR (0.53) MCHR1ADRA2ANPY5RAR
SCHEMBL6878072 0.87 NPC1 (0.44) MCHR1ADRA2ANPY5REPHX1NPC1

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