SCHEMBL6874259

SCHEMBL6874259

CCc1ccccc1NC(=S)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MCHR1 Q99705 8/20 0.39
ADRA2A P08913 6/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 2/20 0.39
GAA P10253 2/20 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

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
SCHEMBL6874264 1.00 MAPT (0.42) MAPTKMT2APOLBHTTMEN1
SCHEMBL6458231 0.90 KMT2A (0.54) KMT2AHTTMEN1CYP2D6MCHR1
SCHEMBL6458135 0.90 MCHR1 (0.40) MCHR1ADRA2AALOX12HTR1AADRA1A
SCHEMBL6458127 0.90 MCHR1 (0.40) MCHR1ADRA2AALOX12HTR1AADRA1A
SCHEMBL6458222 0.90 KMT2A (0.54) KMT2AHTTMEN1CYP2D6MCHR1
SCHEMBL6866519 0.89 GAA (0.45) MAPTKMT2APOLBHTTMEN1
SCHEMBL6866523 0.89 GAA (0.45) MAPTKMT2APOLBHTTMEN1
SCHEMBL6878068 0.88 ALOX12 (0.44) MAPTMCHR1ADRA2AALDH1A1LMNA
SCHEMBL6878065 0.88 ALOX12 (0.44) MAPTMCHR1ADRA2AALDH1A1LMNA
SCHEMBL6877751 0.87 MCHR1 (0.46) KMT2AHTTMEN1MCHR1ADRA2A

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