SCHEMBL5754121

SCHEMBL5754121

COc1ccc(N)c(N2CCCCC2CCO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.43
MAPT P10636 2/20 0.36
HIF1A Q16665 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 2/20 0.35
HCRTR2 O43614 2/20 0.34
NPC1 O15118 1/20 0.33
MAP2K7 O14733 1/20 0.33
CCNK O75909 2/20 0.33
CDK12 Q9NYV4 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33

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
SCHEMBL5754442 0.81 TXNRD1 (0.47) NPY5RMAPTHTTALDH1A1
SCHEMBL6973245 0.80 SMN1; SMN2 (0.44) NPY5RMAPTHIF1AHTTL3MBTL1
SCHEMBL2416519 0.78 PDE10A (0.41) NPY5RMAPTCCNKCDK12CDK2
SCHEMBL2270765 0.76 SMPD3 (0.43) MAPTHIF1AHTTL3MBTL1NPC1
SCHEMBL29985389 0.72 NPY5R (0.41) NPY5RMAPTHIF1AHTTL3MBTL1
SCHEMBL27092770 0.72 NPY5R (0.41) NPY5RMAPTHIF1AHTTL3MBTL1
SCHEMBL27092773 0.72 NPY5R (0.41) NPY5RMAPTHIF1AHTTL3MBTL1
SCHEMBL2266765 0.72 CASP3 (0.44) MAPTHTTL3MBTL1MAP2K7ALDH1A1
SCHEMBL2267089 0.70 HTR2A (0.43) HCRTR2HCRTR1
SCHEMBL5752945 0.70 ALDH1A1 (0.45) MAPTHTTL3MBTL1MAP2K7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1336606-B1 6-Alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibers OREAL (FR) 2006-12-27 EP claimed
EP-1336606-A1 6-Alkoxy-2,3-diaminopyridine couplers for dying keratin fibers L'OREAL (FR) 2003-08-20 EP claimed
EP-1336606-B1 6-Alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibers OREAL (FR) 2006-12-27 EP disclosed
EP-1336606-A1 6-Alkoxy-2,3-diaminopyridine couplers for dying keratin fibers L'OREAL (FR) 2003-08-20 EP disclosed