SCHEMBL9729154

SCHEMBL9729154

CCCCN(CC#CC#N)CCCC

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.41
TSHR P16473 1/20 0.32

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
SCHEMBL9729408 0.92 KCNH2 (0.41) KCNH2
SCHEMBL20658215 0.81 KCNH2 (0.50) KCNH2
SCHEMBL240366 0.77 TSHR (0.43) KCNH2TSHR
SCHEMBL19497014 0.75 TSHR (0.42) KCNH2TSHR
SCHEMBL19999960 0.72 TSHR (0.43) KCNH2TSHR
SCHEMBL17026408 0.72 KCNH2 (0.53) KCNH2TSHR
SCHEMBL20658202 0.72 KCNH2 (0.53) KCNH2TSHR
SCHEMBL19889812 0.71 KCNH2 (0.43) KCNH2
SCHEMBL8568039 0.71 KCNH2 (0.43) KCNH2
Acetonitrile SCHEMBL28917541 0.71 TSHR (0.41) KCNH2TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed