SCHEMBL7442178

SCHEMBL7442178

COC(=O)C(C)(CC#N)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
CTSS P25774 10/20 0.38
CTSK P43235 9/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PLCG1 P19174 1/20 0.31
DPP4 P27487 2/20 0.31
MCL1 Q07820 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
SCHEMBL13350013 0.77 DGAT1 (0.46) DGAT1CTSK
SCHEMBL17617203 0.77 DGAT1 (0.46) DGAT1CTSK
SCHEMBL248088 0.77 DGAT1 (0.37) DGAT1CTSSCTSKMEN1KMT2A
SCHEMBL9911580 0.75 DGAT1 (0.45) DGAT1
SCHEMBL19648659 0.75 DGAT1 (0.45) DGAT1
SCHEMBL8161656 0.75 DGAT1 (0.45) DGAT1
SCHEMBL12168855 0.75 DGAT1 (0.45) DGAT1
SCHEMBL18492898 0.75 CYP3A4 (0.42) MEN1KMT2ADPP4
SCHEMBL28455914 0.75 CYP3A4 (0.42) MEN1KMT2ADPP4
SCHEMBL21436393 0.73 DGAT1 (0.43) DGAT1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed