SCHEMBL6877161

SCHEMBL6877161

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3ccccc3OC(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.45
ADRA2A P08913 10/20 0.45
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX12 P18054 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 5/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 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
SCHEMBL6457784 0.90 EPHX2 (0.50) MCHR1ADRA2ANPY5REPHX2
SCHEMBL6457777 0.90 EPHX2 (0.50) MCHR1ADRA2ANPY5REPHX2
SCHEMBL6873156 0.90 LMNA (0.55) MCHR1ADRA2ALMNANPSR1ALOX12
SCHEMBL6873160 0.90 LMNA (0.55) MCHR1ADRA2ALMNANPSR1ALOX12
SCHEMBL6460463 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5R
SCHEMBL6460454 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5R
SCHEMBL6877819 0.88 LMNA (0.42) MCHR1ADRA2ALMNANPSR1ALOX12
SCHEMBL6877814 0.88 LMNA (0.42) MCHR1ADRA2ALMNANPSR1ALOX12
SCHEMBL6463384 0.87 LMNA (0.57) LMNANPSR1ALOX12ALDH1A1THRB
SCHEMBL6463386 0.87 LMNA (0.57) LMNANPSR1ALOX12ALDH1A1THRB

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