SCHEMBL6875827

SCHEMBL6875827

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)c3csc4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.46
NPY5R Q15761 4/20 0.46
ADRA2A P08913 2/20 0.46
ACACB O00763 11/20 0.43
ACACA Q13085 9/20 0.43
KCNH2 Q12809 1/20 0.39
CNR1 P21554 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL6875832 1.00 MCHR1 (0.46) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6873108 0.88 MCHR1 (0.48) MCHR1NPY5RADRA2A
SCHEMBL6873119 0.88 MCHR1 (0.48) MCHR1NPY5RADRA2A
SCHEMBL6875635 0.86 MCHR1 (0.46) MCHR1NPY5RADRA2A
SCHEMBL6875638 0.86 MCHR1 (0.46) MCHR1NPY5RADRA2A
SCHEMBL6875313 0.85 MCHR1 (0.48) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6878858 0.85 MCHR1 (0.51) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6878852 0.85 MCHR1 (0.51) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6875316 0.85 MCHR1 (0.48) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6456370 0.84 ACACB (0.47) MCHR1NPY5RADRA2AACACBACACA

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