SCHEMBL11011908

SCHEMBL11011908

CC(C)(C)c1ccc2c(n1)C(SC(N)=O)CCC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.34
ACHE P22303 1/20 0.30
NTRK1 P04629 2/20 0.30
ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL11013358 0.83 KDM4E (0.33) ACHENTRK1
SCHEMBL11459026 0.80 PARP1 (0.35) ACHENTRK1
SCHEMBL11011905 0.77 TRPV1 (0.31) TRPV1
SCHEMBL11008540 0.76 KDM4E (0.41) NTRK1
SCHEMBL11475774 0.76 ITGAV (0.34) ACHE
SCHEMBL11522467 0.75 TRPV1 (0.36) TRPV1ACHEATAD2
SCHEMBL10859927 0.73 HDAC1 (0.43) NTRK1
SCHEMBL11459015 0.72 KDM4E (0.39)
SCHEMBL11522209 0.72 TRPV1 (0.32) TRPV1
SCHEMBL11459937 0.71 SLC9A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4529798-A Reacting the correcponding lithium, sodium, potassium or magnesium halide compound with a aminonitrile compound JOHN WYETH & BROTHER LIMITED (GB) 1985-07-16 US disclosed
EP-0054384-B1 PROCESS FOR PREPARING PYRIDINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1984-06-27 EP disclosed
EP-0054384-A1 Process for preparing pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1982-06-23 EP disclosed
US-4191761-A ANTISECRETORY AGENTS JOHN WYETH & BROTHER LTD. (GB) 1980-03-04 US disclosed