SCHEMBL7986311

SCHEMBL7986311

COc1ccc(OCCCN2CCC(CNC(=O)C3=Cc4cnc5cccc(n45)S3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.46
GSK3B P49841 8/20 0.42
KMT2A Q03164 1/20 0.42
FAAH O00519 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR7 P34969 1/20 0.40

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 SCHEMBL7982421 0.99 HTR4 (0.45) HTR4GSK3BKMT2AFAAHACHE
SCHEMBL7986053 0.93 HTR7 (0.45) HTR4POLBCYP3A4CYP2D6HTR7
SCHEMBL7972589 0.92 GSK3B (0.46) HTR4GSK3BFAAHACHE
SCHEMBL7985386 0.92 HTR4 (0.42) HTR4HTR7
SCHEMBL7986842 0.92 HRH3 (0.44) HTR4FAAHACHEHRH3HTR7
Hydrochloric Acid SCHEMBL7982388 0.92 HTR7 (0.44) HTR4POLBCYP3A4CYP2D6HTR7
SCHEMBL7981652 0.92 HRH3 (0.47) HTR4KMT2AHRH3HTR7
Hydrochloric Acid SCHEMBL7986164 0.92 GSK3B (0.45) HTR4GSK3BFAAHACHE
Hydrochloric Acid SCHEMBL7972092 0.91 HTR4 (0.42) HTR4HTR7
Hydrochloric Acid SCHEMBL7972035 0.91 HRH3 (0.43) HTR4FAAHACHEHRH3HTR7

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