SCHEMBL4675876

SCHEMBL4675876

Nc1cnc(N2CCC(O)C2CO)c(N)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.37
MDM2 Q00987 4/20 0.34
CNR2 P34972 1/20 0.34
OPRK1 P41145 1/20 0.33
TACR1 P25103 2/20 0.31
TACR3 P29371 2/20 0.31
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL4675962 0.76 CHUK (0.42)
SCHEMBL4679581 0.75 CUL4A (0.44) THRB
SCHEMBL4675963 0.75 CNR2 (0.34) GBA1CNR2
SCHEMBL4674342 0.72 OPRK1 (0.36) MDM2OPRK1
SCHEMBL4673206 0.70 NPY5R (0.41) OPRK1
SCHEMBL4676761 0.70 OPRK1 (0.42) OPRK1
SCHEMBL7100773 0.70 GBA1 (0.52) GBA1GAATHRB
Hydrochloric Acid SCHEMBL5394721 0.69 NPY5R (0.41) OPRK1
SCHEMBL4673687 0.69 KCNJ5 (0.34) OPRK1
Hydrochloric Acid SCHEMBL6700005 0.69 GBA1 (0.51) GBA1GAATHRB

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