SCHEMBL6880735

SCHEMBL6880735

Cc1cnc(NC2CCC(NC(=O)Nc3cccc(F)c3)CC2)nc1N(C)C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.64
ADRA2A P08913 8/20 0.64
HTR2B P41595 6/20 0.64
HRH1 P35367 5/20 0.64
ADRA1A P35348 4/20 0.64
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
HTR1A P08908 1/20 0.48
EPHX2 P34913 1/20 0.48
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL6880726 1.00 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462983 0.89 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875639 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875646 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6462980 0.89 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464830 0.88 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464835 0.88 MCHR1 (0.74) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874435 0.88 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874438 0.88 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458399 0.88 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A

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