SCHEMBL7983161

SCHEMBL7983161

O=C(C1=Cc2cnc3cccc(n23)S1)N1CCC(C2CCN(CCCc3ccccc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
USP2 O75604 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 5/20 0.41
ALOX15 P16050 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CHRM3 P20309 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 1/20 0.38
DRD4 P21917 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 SCHEMBL7986162 0.99 ALDH1A1 (0.43) ALDH1A1USP2BLMKDM4EALOX15
SCHEMBL7971899 0.84 DRD4 (0.52) ALDH1A1USP2BLMKDM4ESIGMAR1
Hydrochloric Acid SCHEMBL7971892 0.83 DRD4 (0.52) ALDH1A1USP2BLMKDM4ESIGMAR1
SCHEMBL7982426 0.83 LTA4H (0.47) ALDH1A1BLMKCNH2DRD4
SCHEMBL7983992 0.82 ALDH1A1 (0.42) ALDH1A1USP2BLMKDM4ESIGMAR1
Hydrochloric Acid SCHEMBL7971795 0.82 LTA4H (0.47) ALDH1A1BLMKCNH2DRD4
SCHEMBL7971755 0.82 DRD4 (0.53) KDM4ESIGMAR1KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL7983181 0.81 ALDH1A1 (0.41) ALDH1A1USP2BLMKDM4ESIGMAR1
SCHEMBL7989522 0.81 CHRM4 (0.53) DRD4
Hydrochloric Acid SCHEMBL7983770 0.81 DRD4 (0.52) KDM4ESIGMAR1DRD4

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