SCHEMBL7972382

SCHEMBL7972382

O=C(NCC=C1CCN(CCCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
SIGMAR1 Q99720 5/20 0.34
DRD4 P21917 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GRIN2B Q13224 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PTAFR P25105 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33

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 SCHEMBL7989621 0.99 FAAH (0.36) FAAHSIGMAR1DRD4PTPN2PTPN1
SCHEMBL7972040 0.88 SIGMAR1 (0.40) FAAHSIGMAR1DRD4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7982606 0.87 FAAH (0.39) FAAHSIGMAR1DRD4KDM4EALDH1A1
SCHEMBL7985583 0.86 ALDH1A1 (0.43) FAAHSIGMAR1DRD4ALDH1A1
Hydrochloric Acid SCHEMBL7983892 0.85 ALDH1A1 (0.42) FAAHSIGMAR1DRD4ALDH1A1
SCHEMBL7987161 0.84 SMYD2 (0.42) FAAHSIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7971940 0.83 SMYD2 (0.41) FAAHSIGMAR1KDM4EALDH1A1
SCHEMBL7982426 0.83 LTA4H (0.47) DRD4ALDH1A1GRIN2B
SCHEMBL7973164 0.83 SIGMAR1 (0.49) FAAHSIGMAR1KDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL7983443 0.83 SIGMAR1 (0.48) FAAHSIGMAR1KDM4EALDH1A1ALOX15

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