SCHEMBL7983846

SCHEMBL7983846

O=C(NCCCC1CCN(CCc2ccccc2Cl)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
FAAH O00519 2/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRM4 P08173 3/20 0.35
TYRO3 Q06418 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
Hydrochloric Acid SCHEMBL7981811 0.99 KCNH2 (0.40) KCNH2MAOAMAOBFAAHSLC6A2
SCHEMBL7989283 0.96 CHRM4 (0.37) KCNH2MAOAMAOBFAAHSLC6A2
Hydrochloric Acid SCHEMBL7983317 0.95 CHRM4 (0.36) KCNH2MAOAMAOBFAAHSLC6A2
SCHEMBL7986225 0.95 MAOA (0.42) KCNH2MAOAMAOBCHRM4
Hydrochloric Acid SCHEMBL7973072 0.95 KCNH2 (0.41) KCNH2MAOAMAOBCHRM4
SCHEMBL7982308 0.92 CHRM4 (0.41) MAOAMAOBCHRM4
Hydrochloric Acid SCHEMBL7972053 0.92 CHRM4 (0.40) KCNH2MAOAMAOBCHRM4
SCHEMBL7971862 0.91 TP53 (0.40) KCNH2SLC6A4
Hydrochloric Acid SCHEMBL7982031 0.90 TP53 (0.39) KCNH2SLC6A4
SCHEMBL7990681 0.89 CHRM4 (0.43) MAOAMAOBSLC6A2SLC6A4CHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed