SCHEMBL6872807

SCHEMBL6872807

COc1cc(NC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.46
ADRA2A P08913 2/20 0.46
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
AURKB Q96GD4 1/20 0.43
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6872800 1.00 MCHR1 (0.46) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6868701 0.91 LMNA (0.45) MCHR1ADRA2APOLBKMT2ARAB9A
SCHEMBL6868693 0.91 LMNA (0.45) MCHR1ADRA2APOLBKMT2ARAB9A
SCHEMBL6868226 0.91 BCHE (0.46) MCHR1ADRA2AKMT2ABCHEACHE
SCHEMBL6868231 0.91 BCHE (0.46) MCHR1ADRA2AKMT2ABCHEACHE
SCHEMBL6457954 0.89 MAPT (0.38) MCHR1ADRA2APOLBRAB9ANPC1
SCHEMBL6833719 0.89 MAPT (0.38) MCHR1ADRA2APOLBRAB9ANPC1
SCHEMBL6876710 0.89 MCHR1 (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6876707 0.89 MCHR1 (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6875336 0.87 GAA (0.42) MCHR1ADRA2APOLBKMT2ARAB9A

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