SCHEMBL6875689

SCHEMBL6875689

CN(C)c1ccnc(NC2CCC(CNC(=O)Nc3ccccc3Cl)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.50
MCHR1 Q99705 6/20 0.47
KMT2A Q03164 1/20 0.41
MAPK3 P27361 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
NPY5R Q15761 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK8 P45983 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6875685 1.00 MAPK14 (0.50) MAPK14MCHR1KMT2AMAPK3MAPK1
SCHEMBL6460506 0.93 MCHR1 (0.45) MAPK14MCHR1KMT2AMAPK3MAPK1
SCHEMBL6460500 0.93 MCHR1 (0.45) MAPK14MCHR1KMT2AMAPK3MAPK1
SCHEMBL6460221 0.92 MCHR1 (0.47) MAPK14MCHR1KMT2AADRA2AADRA1A
Hydrochloric Acid SCHEMBL6459438 0.92 MCHR1 (0.45) MAPK14MCHR1KMT2AMAPK3MAPK1
Hydrochloric Acid SCHEMBL6459443 0.92 MCHR1 (0.45) MAPK14MCHR1KMT2AMAPK3MAPK1
SCHEMBL6460215 0.92 MCHR1 (0.47) MAPK14MCHR1KMT2AADRA2AADRA1A
SCHEMBL6458463 0.90 MCHR1 (0.47) MAPK14MCHR1ADRA2AADRA1AHRH1
SCHEMBL6876325 0.90 MCHR1 (0.45) MAPK14MCHR1KMT2AADRA2AADRA1A
SCHEMBL6458476 0.90 MCHR1 (0.47) MAPK14MCHR1ADRA2AADRA1AHRH1

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