SCHEMBL7986376

SCHEMBL7986376

O=C(NCC1CCN(CCCOc2ccc(F)cc2F)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.43
HTR4 Q13639 2/20 0.40
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 1/20 0.38
HTR2A P28223 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.36
AURKA O14965 1/20 0.36
F10 P00742 1/20 0.36
GSK3B P49841 1/20 0.36

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 SCHEMBL7982153 0.99 HTR7 (0.43) HTR7HTR4KCNH2MCHR1HTR2A
SCHEMBL7986166 0.93 HTR4 (0.42) HTR7HTR4KCNH2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7971705 0.92 HTR4 (0.41) HTR7HTR4KCNH2MEN1ALDH1A1
SCHEMBL7982288 0.89 HTR7 (0.44) HTR7HTR4KCNH2HTR2AKDM1A
SCHEMBL7985386 0.89 HTR4 (0.42) HTR7HTR4HTR2AKDM1A
SCHEMBL7971626 0.89 HTR7 (0.44) HTR7KCNH2KDM1AGSK3B
Hydrochloric Acid SCHEMBL7985643 0.89 HTR7 (0.44) HTR7HTR4KCNH2HTR2AKDM1A
SCHEMBL7983128 0.89 HTR2A (0.40) HTR7HTR4KCNH2HTR2AMEN1
Hydrochloric Acid SCHEMBL7986100 0.89 HTR7 (0.44) HTR7KCNH2KDM1AGSK3B
Hydrochloric Acid SCHEMBL7972092 0.89 HTR4 (0.42) HTR7HTR4HTR2AKDM1A

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