SCHEMBL7986842

SCHEMBL7986842

O=C(NCC1CCN(CCCOc2ccc(Cl)cc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
HTR4 Q13639 3/20 0.42
FAAH O00519 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HTR7 P34969 2/20 0.41
KDM1A O60341 1/20 0.39
EPHX2 P34913 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
Hydrochloric Acid SCHEMBL7972035 0.99 HRH3 (0.43) HRH3HTR4FAAHBCHEACHE
SCHEMBL7986053 0.93 HTR7 (0.45) HTR4SIGMAR1HTR7KDM1A
SCHEMBL7985386 0.92 HTR4 (0.42) HTR4HTR7KDM1A
SCHEMBL7986311 0.92 HTR4 (0.46) HRH3HTR4FAAHACHEHTR7
Hydrochloric Acid SCHEMBL7982388 0.92 HTR7 (0.44) HTR4SIGMAR1HTR7KDM1A
Hydrochloric Acid SCHEMBL7972092 0.91 HTR4 (0.42) HTR4HTR7KDM1A
Hydrochloric Acid SCHEMBL7982421 0.91 HTR4 (0.45) HRH3HTR4FAAHACHEHTR7
SCHEMBL7984555 0.90 HTR7 (0.44) HRH3HTR4SIGMAR1HTR7KDM1A
SCHEMBL7981652 0.90 HRH3 (0.47) HRH3HTR4HTR7KDM1A
SCHEMBL7972913 0.90 LTA4H (0.42) HTR4HTR7KDM1A

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