SCHEMBL6874657

SCHEMBL6874657

CN(C)c1cc(NC2CCC(NC(=S)Nc3ccc(Cl)cc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.41
PKM P14618 1/20 0.41
MCHR1 Q99705 5/20 0.40
ADRA2A P08913 4/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
NPY5R Q15761 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6874646 1.00 ACP1 (0.41) ACP1PKMMCHR1ADRA2AALDH1A1
SCHEMBL6868426 0.90 MCHR1 (0.44) ACP1MCHR1ADRA2AHTR1AADRA1A
SCHEMBL6463604 0.90 MCHR1 (0.42) ACP1PKMMCHR1ADRA2AALDH1A1
SCHEMBL6868434 0.90 MCHR1 (0.44) ACP1MCHR1ADRA2AHTR1AADRA1A
SCHEMBL6463609 0.90 MCHR1 (0.42) ACP1PKMMCHR1ADRA2AALDH1A1
SCHEMBL6876725 0.89 MEN1 (0.51) MCHR1ADRA2AALDH1A1LMNAMEN1
SCHEMBL6876734 0.89 MEN1 (0.51) MCHR1ADRA2AALDH1A1LMNAMEN1
SCHEMBL6877259 0.88 SMN1; SMN2 (0.44) MCHR1ADRA2AALDH1A1LMNAMEN1
SCHEMBL6877266 0.88 SMN1; SMN2 (0.44) MCHR1ADRA2AALDH1A1LMNAMEN1
SCHEMBL5527119 0.85 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1

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