SCHEMBL17887629

SCHEMBL17887629

CN(Cc1cccc(Cl)c1)C(=N)N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.58
▸ HTR3E A5X5Y0 4/20 0.57
▸ HTR3B O95264 4/20 0.57
▸ HTR3A P46098 4/20 0.57
▸ HTR3D Q70Z44 4/20 0.57
▸ HTR3C Q8WXA8 4/20 0.57
▸ AOC3 Q16853 4/20 0.53
▸ IDO1 P14902 2/20 0.53
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ PYCR1 P32322 1/20 0.50
▸ GRIN2D O15399 3/20 0.49
▸ GRIN3B O60391 3/20 0.49
▸ GRIN1 Q05586 3/20 0.49
▸ GRIN2A Q12879 3/20 0.49
▸ GRIN2B Q13224 3/20 0.49
▸ GRIN2C Q14957 3/20 0.49
▸ GRIN3A Q8TCU5 3/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL14344795 0.85 RIPK1 (0.56) RIPK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11833353 0.82 GAA (0.57) RIPK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17887985 0.82 RIPK1 (0.54) RIPK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9824208 0.81 RIPK1 (0.64) RIPK1AOC3GAATSHRRECQL
SCHEMBL11833347 0.81 RIPK1 (0.52) RIPK1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17887509 0.79 ALDH1A1 (0.61) AOC3IDO1PYCR1
SCHEMBL29565507 0.79 RIPK1 (0.65) RIPK1AOC3GAATSHRRECQL
SCHEMBL17278345 0.79 RIPK1 (0.61) RIPK1AOC3GAATSHRRECQL
SCHEMBL17887869 0.79 AOC3 (0.68) AOC3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1620582 0.78 NPC1 (0.60) RIPK1AOC3TSHRGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 — — WO disclosed
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