SCHEMBL6875432

SCHEMBL6875432

CCCCNC(=O)NC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.45
ADRA2A P08913 8/20 0.44
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
NPY5R Q15761 1/20 0.42
EPHX1 P07099 6/20 0.42
TP53 P04637 1/20 0.42
EPHX2 P34913 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
SCHEMBL6875427 1.00 MCHR1 (0.45) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877940 0.97 EPHX1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877947 0.97 EPHX1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6876994 0.85 KDM4E (0.50) MCHR1ADRA2A
SCHEMBL6877000 0.85 KDM4E (0.50) MCHR1ADRA2A
SCHEMBL6874583 0.83 LMNA (0.52) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6874577 0.83 LMNA (0.52) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6868157 0.83 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6868164 0.83 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6878983 0.83 MCHR1 (0.46) MCHR1ADRA2AHTR1AADRA1AHRH1

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