SCHEMBL6867531

SCHEMBL6867531

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.49
ADRA2A P08913 7/20 0.49
EPHX2 P34913 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH1 P35367 5/20 0.46
HTR2B P41595 5/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PAK1 Q13153 1/20 0.41
EPHX1 P07099 1/20 0.40
CCNC P24863 1/20 0.40

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
SCHEMBL6867526 1.00 MCHR1 (0.49) MCHR1ADRA2AEPHX2NPC1RAB9A
SCHEMBL6873496 0.94 NPC1 (0.57) MCHR1ADRA2AEPHX2NPC1RAB9A
SCHEMBL6873499 0.94 NPC1 (0.57) MCHR1ADRA2AEPHX2NPC1RAB9A
SCHEMBL6878062 0.92 MEN1 (0.58) MCHR1ADRA2AEPHX2NPC1RAB9A
SCHEMBL6878058 0.92 MEN1 (0.58) MCHR1ADRA2AEPHX2NPC1RAB9A
SCHEMBL6880492 0.90 TP53 (0.45) MCHR1ADRA2AEPHX2NPC1RAB9A
SCHEMBL6880487 0.90 TP53 (0.45) MCHR1ADRA2AEPHX2NPC1RAB9A
SCHEMBL6878317 0.90 CCNC (0.53) EPHX2SMN1; SMN2KMT2AMAPTMAPK1
SCHEMBL6878327 0.90 CCNC (0.53) EPHX2SMN1; SMN2KMT2AMAPTMAPK1
SCHEMBL6873659 0.90 MCHR1 (0.51) MCHR1ADRA2AEPHX2NPC1RAB9A

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