SCHEMBL6879694

SCHEMBL6879694

CNc1nc(NC2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)ncc1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.59
ADRA2A P08913 7/20 0.59
HRH1 P35367 6/20 0.59
HTR2B P41595 6/20 0.59
LRRK2 Q5S007 1/20 0.56
ADRA1A P35348 3/20 0.53
MAPK14 Q16539 2/20 0.46
BRD4 O60885 4/20 0.46
PTK2 Q05397 1/20 0.46
SYK P43405 1/20 0.45

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
SCHEMBL6879683 1.00 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BLRRK2
SCHEMBL6456243 0.91 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BLRRK2
SCHEMBL6456237 0.91 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BLRRK2
Hydrochloric Acid SCHEMBL6461144 0.90 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BLRRK2
Hydrochloric Acid SCHEMBL6461134 0.90 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BLRRK2
SCHEMBL6461733 0.85 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BLRRK2
SCHEMBL6457554 0.85 MCHR1 (0.80) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461744 0.85 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BLRRK2
SCHEMBL6457538 0.85 MCHR1 (0.80) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6461443 0.84 MCHR1 (0.78) MCHR1ADRA2AHRH1HTR2BADRA1A

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