SCHEMBL13889502

SCHEMBL13889502

C[C@@H]1CC2(C)OC1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(CF)c3)C(=O)[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.60
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL13889850 0.90 AR (0.74) ARCACNA1BAPBA1
SCHEMBL13482477 0.89 AR (0.74) ARCACNA1BAPBA1
SCHEMBL13482735 0.89 AR (0.74) ARCACNA1BAPBA1
SCHEMBL13989453 0.87 AR (0.74) ARCACNA1BAPBA1
SCHEMBL13889764 0.85 AR (0.54) ARCACNA1BAPBA1
SCHEMBL13889598 0.84 AR (0.54) ARCACNA1BAPBA1
SCHEMBL13889851 0.84 AR (0.61) AR
SCHEMBL14381280 0.84 AR (0.80) AR
SCHEMBL26448317 0.84 AR (0.80) AR
SCHEMBL26448311 0.84 AR (0.80) AR

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-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed