SCHEMBL6874404

SCHEMBL6874404

Cc1ccc(NC(=S)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.40
ADRA2A P08913 6/20 0.40
HRH1 P35367 4/20 0.40
HTR2B P41595 4/20 0.40
ADRA1A P35348 2/20 0.40
P2RX5 Q93086 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6874408 1.00 MCHR1 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6455345 0.92 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6455343 0.92 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877730 0.90 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877735 0.90 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872318 0.90 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872321 0.90 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874405 0.89 P2RX4 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874409 0.89 P2RX4 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458264 0.88 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A

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