SCHEMBL6953458

SCHEMBL6953458

COc1cccc(C=NN=C(N)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.72
CHRM5 P08912 1/20 0.62
GRIN1 Q05586 4/20 0.50
GRIN2B Q13224 4/20 0.50
GRIN2D O15399 3/20 0.50
GRIN3B O60391 3/20 0.50
GRIN2A Q12879 3/20 0.50
GRIN2C Q14957 3/20 0.50
GRIN3A Q8TCU5 3/20 0.50
FURIN P09958 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
BCHE P06276 1/20 0.50
EGFR P00533 1/20 0.49
G6PC1 P35575 1/20 0.48
MAPT P10636 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6953455 1.00 TAAR1 (0.72) TAAR1CHRM5GRIN1GRIN2BGRIN2D
SCHEMBL6953452 1.00 TAAR1 (0.72) TAAR1CHRM5GRIN1GRIN2BGRIN2D
SCHEMBL7719407 0.81 NPC1 (0.59) TAAR1GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7719409 0.81 NPC1 (0.59) TAAR1GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7719406 0.81 NPC1 (0.59) TAAR1GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL15583383 0.80 GRIN2D (0.68) TAAR1GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL29607358 0.79 TAAR1 (0.74) TAAR1CHRM5GRIN1GRIN2BGRIN2D
SCHEMBL1654602 0.78 CHRM5 (1.00) TAAR1CHRM5G6PC1NPC1
SCHEMBL10689025 0.75 MEN1 (0.64) TAAR1CHRM5MEN1ALDH1A1KMT2A
SCHEMBL10689034 0.75 MEN1 (0.64) TAAR1CHRM5MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103549-B1 Photoprotective cosmetic compositions containing aminoamidine derivatives and uses thereof OREAL (FR) 2003-06-04 EP claimed
US-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US claimed
EP-1103549-A1 Photoprotective cosmetic compositions containing aminoamidine derivatives and uses thereof L'OREAL (FR) 2001-05-30 EP claimed
EP-1103549-B1 Photoprotective cosmetic compositions containing aminoamidine derivatives and uses thereof OREAL (FR) 2003-06-04 EP disclosed
US-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US disclosed
EP-1103549-A1 Photoprotective cosmetic compositions containing aminoamidine derivatives and uses thereof L'OREAL (FR) 2001-05-30 EP disclosed