SCHEMBL6869043

SCHEMBL6869043

CCOc1ccccc1C(=O)NC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.51
ADRA2A P08913 2/20 0.51
NPY5R Q15761 2/20 0.51
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACACB O00763 9/20 0.44
ACACA Q13085 8/20 0.44
HTR7 P34969 1/20 0.44
HCRTR1 O43613 2/20 0.42
AR P10275 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6869049 1.00 MCHR1 (0.51) MCHR1ADRA2ANPY5RTSHRSMN1; SMN2
SCHEMBL6874026 0.90 MEN1 (0.52) MCHR1ADRA2ATSHRSMN1; SMN2HTR7
SCHEMBL6874029 0.90 MEN1 (0.52) MCHR1ADRA2ATSHRSMN1; SMN2HTR7
SCHEMBL6875316 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6878858 0.86 MCHR1 (0.51) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6878852 0.86 MCHR1 (0.51) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6875313 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6876478 0.84 MCHR1 (0.46) MCHR1ADRA2ANPY5RSMN1; SMN2ACACB
SCHEMBL6876486 0.84 MCHR1 (0.46) MCHR1ADRA2ANPY5RSMN1; SMN2ACACB
SCHEMBL6878308 0.84 MCHR1 (0.47) 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