SCHEMBL6878768

SCHEMBL6878768

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
ALOX12 P18054 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MCHR1 Q99705 5/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.40
ADRA2A P08913 4/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL6878770 1.00 ALDH1A1 (0.45) ALDH1A1ALOX12SMN1; SMN2MCHR1LMNA
SCHEMBL6463450 0.95 MCHR1 (0.44) SMN1; SMN2MCHR1LMNAKDM4ETP53
SCHEMBL6463465 0.95 MCHR1 (0.44) SMN1; SMN2MCHR1LMNAKDM4ETP53
SCHEMBL6872718 0.92 ALOX12 (0.49) ALDH1A1ALOX12SMN1; SMN2MCHR1LMNA
SCHEMBL6872723 0.92 ALOX12 (0.49) ALDH1A1ALOX12SMN1; SMN2MCHR1LMNA
SCHEMBL6465575 0.90 TP53 (0.45) ALDH1A1SMN1; SMN2MCHR1LMNAKDM4E
SCHEMBL6465570 0.90 TP53 (0.45) ALDH1A1SMN1; SMN2MCHR1LMNAKDM4E
SCHEMBL6879660 0.89 MCHR1 (0.40) SMN1; SMN2MCHR1LMNAKDM4ETP53
SCHEMBL6879666 0.89 MCHR1 (0.40) SMN1; SMN2MCHR1LMNAKDM4ETP53
SCHEMBL6877493 0.88 TP53 (0.49) ALDH1A1SMN1; SMN2MCHR1LMNAKDM4E

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