SCHEMBL6879660

SCHEMBL6879660

CCc1cccc(C(C)C)c1NC(=S)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.40
TP53 P04637 1/20 0.39
ADRA2A P08913 10/20 0.38
HTT P42858 1/20 0.38
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SOAT1 P35610 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
NPY5R Q15761 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL6879666 1.00 MCHR1 (0.40) MCHR1TP53ADRA2AHTTGLA
SCHEMBL6463450 0.92 MCHR1 (0.44) MCHR1TP53ADRA2AHTTKDM4E
SCHEMBL6463465 0.92 MCHR1 (0.44) MCHR1TP53ADRA2AHTTKDM4E
SCHEMBL6473886 0.91 EPHX1 (0.42) MCHR1TP53ADRA2AKDM4ELMNA
SCHEMBL6467863 0.91 EPHX1 (0.42) MCHR1TP53ADRA2AKDM4ELMNA
SCHEMBL6877014 0.89 KDM4E (0.41) MCHR1ADRA2AHTTGLAKDM4E
SCHEMBL6878770 0.89 ALDH1A1 (0.45) MCHR1TP53ADRA2AKDM4ELMNA
SCHEMBL6878768 0.89 ALDH1A1 (0.45) MCHR1TP53ADRA2AKDM4ELMNA
SCHEMBL6877017 0.89 KDM4E (0.41) MCHR1ADRA2AHTTGLAKDM4E
SCHEMBL6877493 0.85 TP53 (0.49) MCHR1TP53ADRA2AHTTKDM4E

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