SCHEMBL7981652

SCHEMBL7981652

CC(C)(C)c1ccc(OCCCN2CCC(CNC(=O)C3=Cc4cnc5cccc(n45)S3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR4 Q13639 2/20 0.42
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
KDM1A O60341 1/20 0.40
HTR7 P34969 2/20 0.39
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 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 SCHEMBL7983162 0.99 HRH3 (0.46) HRH3MEN1KMT2AHTR4KCNH2
SCHEMBL7986311 0.92 HTR4 (0.46) HRH3KMT2AHTR4HTR7
Hydrochloric Acid SCHEMBL7982421 0.91 HTR4 (0.45) HRH3KMT2AHTR4HTR7
SCHEMBL7986053 0.91 HTR7 (0.45) HTR4KDM1AHTR7
SCHEMBL7985386 0.90 HTR4 (0.42) HTR4KDM1AHTR7
SCHEMBL7986842 0.90 HRH3 (0.44) HRH3HTR4KDM1AHTR7
Hydrochloric Acid SCHEMBL7982388 0.90 HTR7 (0.44) HTR4KDM1AHTR7
Hydrochloric Acid SCHEMBL7972035 0.89 HRH3 (0.43) HRH3HTR4KDM1AHTR7
Hydrochloric Acid SCHEMBL7972092 0.89 HTR4 (0.42) HTR4KDM1AHTR7
SCHEMBL7984555 0.88 HTR7 (0.44) HRH3MEN1KMT2AHTR4KDM1A

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