SCHEMBL7971862

SCHEMBL7971862

O=C(NCC1CCN(CCc2ccccc2Cl)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
CXCR4 P61073 3/20 0.38
KCNH2 Q12809 4/20 0.37
CACNA1I Q9P0X4 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 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 SCHEMBL7982031 0.99 TP53 (0.39) TP53LMNAALPLALPIALPG
SCHEMBL7986666 0.95 TP53 (0.39) TP53LMNAALPLALPIALPG
Hydrochloric Acid SCHEMBL7972048 0.94 TP53 (0.38) TP53LMNAALPLALPIALPG
SCHEMBL7986225 0.92 MAOA (0.42) KCNH2
Hydrochloric Acid SCHEMBL7973072 0.91 KCNH2 (0.41) KCNH2
SCHEMBL7983846 0.91 KCNH2 (0.39) KCNH2SLC6A4
SCHEMBL7971613 0.90 KMT2A (0.41) GSK3B
Hydrochloric Acid SCHEMBL7981811 0.90 KCNH2 (0.40) KCNH2SLC6A4
Hydrochloric Acid SCHEMBL7982520 0.89 KMT2A (0.40) GSK3B
SCHEMBL7981833 0.88 HTR4 (0.47) KCNH2GSK3B

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