SCHEMBL5217255

SCHEMBL5217255

Cc1noc(C)c1-c1cccc(CCN)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.55
BRD2 P25440 6/20 0.55
CREBBP Q92793 3/20 0.55
TAAR1 Q96RJ0 1/20 0.51
FFAR1 O14842 6/20 0.50
HTR7 P34969 1/20 0.50
MAP4K4 O95819 1/20 0.47
BRD3 Q15059 2/20 0.46

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
SCHEMBL20946455 0.88 BRD4 (0.57) BRD4BRD2CREBBPFFAR1MAP4K4
SCHEMBL5218215 0.87 MAP4K4 (0.64) BRD4BRD2CREBBPTAAR1FFAR1
SCHEMBL12881340 0.87 BRD4 (0.59) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL3340053 0.83 BRD4 (0.52) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL3338755 0.83 HTR7 (0.62) BRD4BRD2CREBBPTAAR1FFAR1
SCHEMBL28047388 0.82 BRD4 (0.57) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL16675743 0.82 BRD4 (0.58) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL3339883 0.81 BRD4 (0.53) BRD4BRD2CREBBPFFAR1HTR7
SCHEMBL3336143 0.80 BRD4 (0.52) BRD4BRD2CREBBPFFAR1HTR7
SCHEMBL12866840 0.79 BRD4 (0.57) BRD4BRD2CREBBPFFAR1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed