SCHEMBL7971948

SCHEMBL7971948

O=C(NCC(=O)N1CCCN(CCCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.46
FAAH O00519 1/20 0.39
CHRM3 P20309 2/20 0.39
L3MBTL1 Q9Y468 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 SCHEMBL7971928 0.99 SIGMAR1 (0.45) SIGMAR1FAAHCHRM3L3MBTL1
SCHEMBL7973164 0.97 SIGMAR1 (0.49) SIGMAR1FAAH
Hydrochloric Acid SCHEMBL7983443 0.96 SIGMAR1 (0.48) SIGMAR1FAAH
SCHEMBL7987161 0.89 SMYD2 (0.42) SIGMAR1FAAH
Hydrochloric Acid SCHEMBL7971940 0.89 SMYD2 (0.41) SIGMAR1FAAH
SCHEMBL7985583 0.87 ALDH1A1 (0.43) SIGMAR1FAAH
SCHEMBL7972040 0.87 SIGMAR1 (0.40) SIGMAR1FAAH
SCHEMBL7984736 0.86 SMYD2 (0.46)
Hydrochloric Acid SCHEMBL7982606 0.86 FAAH (0.39) SIGMAR1FAAH
Hydrochloric Acid SCHEMBL7983892 0.86 ALDH1A1 (0.42) SIGMAR1FAAH

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