SCHEMBL6877359

SCHEMBL6877359

CCSc1ncccc1C(=O)NC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.45
ADRA2A P08913 4/20 0.45
NPY5R Q15761 3/20 0.45
ACACB O00763 7/20 0.40
ACACA Q13085 6/20 0.40
HSD11B1 P28845 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 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
SCHEMBL6868859 0.94 HSD11B1 (0.47) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6878308 0.93 MCHR1 (0.47) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6866386 0.90 HSD11B1 (0.48) MCHR1ADRA2ANPY5RHSD11B1
SCHEMBL6866381 0.90 HSD11B1 (0.48) MCHR1ADRA2ANPY5RHSD11B1
SCHEMBL13793476 0.85 MCHR1 (0.59) MCHR1ADRA2ANPY5R
SCHEMBL6873253 0.84 HSD11B1 (0.58) MCHR1ADRA2AHSD11B1
SCHEMBL6873257 0.84 HSD11B1 (0.58) MCHR1ADRA2AHSD11B1
SCHEMBL6869049 0.84 MCHR1 (0.51) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6869043 0.84 MCHR1 (0.51) MCHR1ADRA2ANPY5RACACBACACA
Hydrochloric Acid SCHEMBL6461571 0.83 MAPK8 (0.46) MCHR1ADRA2ANPY5RACACBACACA

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