SCHEMBL6874405

SCHEMBL6874405

CC(C)c1ccc(NC(=S)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.41
P2RX7 Q99572 2/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 8/20 0.35
ADRA2A P08913 6/20 0.35
HRH1 P35367 4/20 0.33
HTR2B P41595 4/20 0.33
ADRA1A P35348 2/20 0.33

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
SCHEMBL6874409 1.00 P2RX4 (0.41) P2RX4P2RX7NPC1RAB9ALMNA
SCHEMBL6874404 0.89 MCHR1 (0.40) P2RX4P2RX7NPC1RAB9AMCHR1
SCHEMBL6874408 0.89 MCHR1 (0.40) P2RX4P2RX7NPC1RAB9AMCHR1
SCHEMBL6877735 0.88 MCHR1 (0.41) LMNAMCHR1ADRA2AHRH1HTR2B
SCHEMBL6877730 0.88 MCHR1 (0.41) LMNAMCHR1ADRA2AHRH1HTR2B
SCHEMBL6868723 0.86 MCHR1 (0.40) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL6878669 0.86 SMN1; SMN2 (0.54) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL6868714 0.86 MCHR1 (0.40) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL6878673 0.86 SMN1; SMN2 (0.54) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL6458264 0.84 MCHR1 (0.41) HTTSMN1; SMN2MCHR1ADRA2AHRH1

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