SCHEMBL6364808

SCHEMBL6364808

CCN(CC)CCNCc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16269355 0.84 TAAR1 (0.62) CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1
SCHEMBL6183546 0.82 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19TAAR1LMNA
SCHEMBL6365430 0.81 CHRM2 (0.61) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL455309 0.80 MEN1 (0.59) MEN1KMT2AHTTSIGMAR1
SCHEMBL19633152 0.79 CYP1A2 (0.88) CYP1A2CYP2D6CYP2C19TAAR1LMNA
SCHEMBL29672948 0.78 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL8583518 0.78 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL1420648 0.77 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3565819 0.77 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL4717200 0.76 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846953-B1 Aromatic amides WARNER LAMBERT COMPANY (US) 2005-01-25 US claimed
EP-1178953-B1 AROMATIC AMIDES WARNER LAMBERT CO (US) 2003-12-03 EP claimed
JP-2002544186-A 2002-12-24 JP claimed
CN-1352631-A Aromatic amides WARNER LAMBERT CO (US) 2002-06-05 CN claimed
EP-1178953-A1 AROMATIC AMIDES WARNER-LAMBERT COMPANY (US) 2002-02-13 EP claimed
WO-2000068184-A1 AROMATIC AMIDES WARNER-LAMBERT COMPANY (US) 2000-11-16 WO claimed
WO-2005121319-A1 METHODS FOR PRODUCTION OF MESODERMAL LINEAGE CELLS NOVATHERA LTD (GB) 2005-12-22 WO disclosed
US-6846953-B1 Aromatic amides WARNER LAMBERT COMPANY (US) 2005-01-25 US disclosed