SCHEMBL4677728

SCHEMBL4677728

Nc1cnc(N2CCCNCC2)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
HRH4 Q9H3N8 1/20 0.45
CHRNB2 P17787 10/20 0.43
CHRNA4 P43681 10/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL4673972 0.85 ALDH1A1 (0.39) HRH4
SCHEMBL4673656 0.83 ALDH1A1 (0.41)
SCHEMBL4676302 0.83 ALDH1A1 (0.41)
Hydrochloric Acid SCHEMBL5387154 0.82 ALDH1A1 (0.41)
Hydrochloric Acid SCHEMBL5380088 0.82 ALDH1A1 (0.37) HRH4
Hydrochloric Acid SCHEMBL5373471 0.82 ALDH1A1 (0.41)
SCHEMBL4678264 0.75 HRH4 (0.50) ROCK2ROCK1HRH4
SCHEMBL4675955 0.73 HRH4 (0.56) HRH4
SCHEMBL4672749 0.73 KDM4E (0.49)
SCHEMBL20124822 0.73 HRH4 (0.50) HRH4CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457199-B1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres OREAL (FR) 2008-05-14 EP disclosed
US-7175670-B2 Couplers of 2,3,5-triaminopyridine and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2007-02-13 US disclosed
US-20050081313-A1 Novel couplers of 2,3,5-triaminopyridine and use of the same for dyeing keratin fibers L'OREAL S.A. (FR) 2005-04-21 US disclosed
EP-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP disclosed
EP-1457199-A1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-15 EP disclosed