SCHEMBL6875980

SCHEMBL6875980

CN(C)c1nc(NC2CCC(NC(=S)NCc3cccc(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.56
MAPT P10636 2/20 0.56
MCHR1 Q99705 5/20 0.47
ADRA2A P08913 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HRH1 P35367 1/20 0.38
HTR2B P41595 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
SCHEMBL6875977 1.00 ALOX12 (0.56) ALOX12MAPTMCHR1ADRA2ANPC1
SCHEMBL6879414 0.90 MCHR1 (0.46) ALOX12MAPTMCHR1ADRA2ALMNA
SCHEMBL6879419 0.90 MCHR1 (0.46) ALOX12MAPTMCHR1ADRA2ALMNA
SCHEMBL6875974 0.90 LMNA (0.54) ALOX12MAPTMCHR1ADRA2ANPC1
SCHEMBL6875979 0.90 LMNA (0.54) ALOX12MAPTMCHR1ADRA2ANPC1
SCHEMBL6875063 0.90 MCHR1 (0.47) ALOX12MAPTMCHR1ADRA2ALMNA
SCHEMBL6875068 0.90 MCHR1 (0.47) ALOX12MAPTMCHR1ADRA2ALMNA
SCHEMBL6873184 0.90 ADRA2A (0.46) ALOX12MAPTMCHR1ADRA2ALMNA
SCHEMBL6873178 0.90 ADRA2A (0.46) ALOX12MAPTMCHR1ADRA2ALMNA
SCHEMBL7044566 0.89 BCHE (0.46) ALOX12MAPTMCHR1ADRA2ALMNA

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