SCHEMBL7444155

SCHEMBL7444155

CC(N)=C(CCCCCl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
THRB P10828 1/20 0.42
PGGT1B P53609 1/20 0.42
FAAH O00519 1/20 0.32
GRIK1 P39086 1/20 0.31
PAOX Q6QHF9 1/20 0.31
BBOX1 O75936 1/20 0.31

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
SCHEMBL7444148 1.00 FNTA (0.42) FNTAFNTBTHRBPGGT1BFAAH
SCHEMBL7440851 0.85 GRIK1 (0.34) FNTAFNTBTHRBPGGT1BGRIK1
SCHEMBL7440860 0.85 GRIK1 (0.34) FNTAFNTBTHRBPGGT1BGRIK1
SCHEMBL8325846 0.78 FNTA (0.55) FNTAFNTBTHRBPGGT1B
SCHEMBL8325853 0.78 FNTA (0.55) FNTAFNTBTHRBPGGT1B
Chloromethane SCHEMBL10608041 0.74 FNTA (0.41) FNTAFNTBTHRBPGGT1BGRIK1
SCHEMBL12490349 0.73 HDAC3 (0.43) FNTAFNTBTHRBPGGT1BGRIK1
SCHEMBL7266900 0.73 GRIK1 (0.35) FNTAFNTBTHRBPGGT1BGRIK1
SCHEMBL7266902 0.73 GRIK1 (0.35) FNTAFNTBTHRBPGGT1BGRIK1
SCHEMBL3133846 0.73 HDAC3 (0.43) FNTAFNTBTHRBPGGT1BGRIK1

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-5580871-A FOR TREATMENT OF CONGESTIVE HEART FAILURE THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-03 US disclosed
US-5432188-A Treating congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-11 US disclosed
US-5166147-A Congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-24 US disclosed