SCHEMBL6873876

SCHEMBL6873876

COc1cccc(S(=O)(=O)c2ncccc2C(=O)N[C@H]2CC[C@@H](Nc3nc(C)cc(N(C)C)n3)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 15/20 0.66
▸ CNR1 P21554 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ ADRA2A P08913 4/20 0.50
▸ HRH1 P35367 3/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ PDE4B Q07343 2/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ MET P08581 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ TYK2 P29597 1/20 0.38

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
SCHEMBL6873881 1.00 MCHR1 (0.66) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6877369 0.92 MCHR1 (0.61) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6877375 0.92 MCHR1 (0.61) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6869069 0.91 MCHR1 (0.64) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6869074 0.91 MCHR1 (0.64) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6462045 0.89 MCHR1 (0.65) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6462040 0.89 MCHR1 (0.65) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6874709 0.87 MCHR1 (0.58) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6874713 0.87 MCHR1 (0.58) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6868296 0.86 MCHR1 (0.54) 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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