SCHEMBL6877375

SCHEMBL6877375

COc1ccc(S(=O)(=O)c2ncccc2C(=O)NC2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 15/20 0.61
▸ CNR1 P21554 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59
▸ ADRA2A P08913 4/20 0.51
▸ HRH1 P35367 3/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ HTR2B P41595 2/20 0.51
▸ PDE4B Q07343 2/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ KLK7 P49862 1/20 0.39

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
SCHEMBL6877369 1.00 MCHR1 (0.61) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6873876 0.92 MCHR1 (0.66) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6873881 0.92 MCHR1 (0.66) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6874713 0.92 MCHR1 (0.58) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6874709 0.92 MCHR1 (0.58) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6868303 0.90 MCHR1 (0.54) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6868296 0.90 MCHR1 (0.54) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6877864 0.90 MCHR1 (0.65) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6879304 0.90 MCHR1 (0.65) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6877872 0.90 MCHR1 (0.65) MCHR1CNR1KCNH2AURKBADRA2A

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
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