SCHEMBL6868161

SCHEMBL6868161

CN(C)c1cc(NC2CCC(NC(=S)Nc3ccc(C#N)cc3)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.45
ADRA2A P08913 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KDM1A O60341 2/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.37
ALOX12 P18054 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6868153 1.00 MCHR1 (0.45) MCHR1ADRA2ASMN1; SMN2LMNAKDM4E
SCHEMBL6878657 0.89 EPHX1 (0.49) MCHR1ADRA2ASMN1; SMN2LMNAKDM4E
SCHEMBL6878665 0.89 EPHX1 (0.49) MCHR1ADRA2ASMN1; SMN2LMNAKDM4E
SCHEMBL6878950 0.88 MCHR1 (0.43) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6867605 0.88 SMN1; SMN2 (0.47) MCHR1ADRA2ASMN1; SMN2LMNAKDM4E
SCHEMBL6878955 0.88 MCHR1 (0.43) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6867611 0.88 SMN1; SMN2 (0.47) MCHR1ADRA2ASMN1; SMN2LMNAKDM4E
SCHEMBL6877703 0.83 MCHR1 (0.59) MCHR1ADRA2ASMN1; SMN2LMNAKDM4E
SCHEMBL6877713 0.83 MCHR1 (0.59) MCHR1ADRA2ASMN1; SMN2LMNAKDM4E
SCHEMBL6874633 0.83 MAPT (0.49) MCHR1ADRA2ASMN1; SMN2LMNAKDM4E

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