SCHEMBL6526449

SCHEMBL6526449

NC(CO)c1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 7/20 0.53
S1PR4 O95977 3/20 0.48
S1PR1 P21453 3/20 0.48
S1PR5 Q9H228 3/20 0.48
TAAR1 Q96RJ0 1/20 0.42
AAK1 Q2M2I8 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.36
PABPC1 P11940 1/20 0.36
CYP1A2 P05177 1/20 0.35
BACE1 P56817 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
SCHEMBL1479604 1.00 SCN10A (0.53) SCN10AS1PR4S1PR1S1PR5TAAR1
SCHEMBL17515817 0.82 TAAR1 (0.65) TAAR1AAK1
SCHEMBL4149209 0.82 SCN10A (0.53) SCN10AS1PR4S1PR1S1PR5TAAR1
SCHEMBL5100732 0.82 SCN10A (0.53) SCN10AS1PR4S1PR1S1PR5TAAR1
SCHEMBL5101032 0.82 SCN10A (0.53) SCN10AS1PR4S1PR1S1PR5TAAR1
SCHEMBL1479299 0.81 TAAR1 (0.43) SCN10AS1PR4S1PR1S1PR5TAAR1
SCHEMBL4148905 0.81 TAAR1 (0.43) SCN10AS1PR4S1PR1S1PR5TAAR1
SCHEMBL6527047 0.81 TAAR1 (0.43) SCN10AS1PR4S1PR1S1PR5TAAR1
SCHEMBL5101171 0.80 CSNK2A1 (0.45) SCN10ATAAR1PABPC1CYP1A2BACE1
SCHEMBL4154842 0.80 CSNK2A1 (0.45) SCN10ATAAR1PABPC1CYP1A2BACE1

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
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed