SCHEMBL16722866

SCHEMBL16722866

Bc1ccc2c(c1)N(C(=O)c1ccco1)C[C@H](CC)N2C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.56

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
SCHEMBL16721187 0.88 BRD4 (0.61) BRD4
SCHEMBL16721190 0.88 BRD4 (0.61) BRD4
SCHEMBL21674435 0.82 BRD4 (0.63) BRD4
SCHEMBL16721438 0.82 BRD4 (0.78) BRD4
SCHEMBL16721441 0.82 BRD4 (0.78) BRD4
SCHEMBL16721900 0.78 BRD4 (0.55) BRD4
SCHEMBL27634273 0.78 BRD4 (0.48) BRD4
SCHEMBL5900070 0.76 BRD4 (0.46) BRD4
SCHEMBL21674846 0.74 BRD4 (0.62) BRD4
SCHEMBL17018048 0.73 BRD4 (0.77) BRD4

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
WO-2015074081-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 — — WO disclosed
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