SCHEMBL17887985

SCHEMBL17887985

C/N=C(\N)N(C)Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.54
▸ GAA P10253 1/20 0.50
▸ AOC3 Q16853 4/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PYCR1 P32322 1/20 0.49
▸ HTR3E A5X5Y0 4/20 0.47
▸ HTR3B O95264 4/20 0.47
▸ HTR3A P46098 4/20 0.47
▸ HTR3D Q70Z44 4/20 0.47
▸ HTR3C Q8WXA8 4/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.47
▸ PNMT P11086 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ NOS1 P29475 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
SCHEMBL11833353 0.87 GAA (0.57) RIPK1GAAAOC3TSHRRECQL
SCHEMBL17887629 0.82 RIPK1 (0.58) RIPK1GAAAOC3TSHRRECQL
SCHEMBL9824208 0.77 RIPK1 (0.64) RIPK1GAAAOC3TSHRRECQL
SCHEMBL14344795 0.77 RIPK1 (0.56) RIPK1GAAAOC3TSHRRECQL
SCHEMBL11746708 0.75 AOC3 (0.68) RIPK1GAAAOC3TSHRRECQL
Acetic Acid SCHEMBL28196943 0.75 NPC1 (0.54) RIPK1
SCHEMBL8290710 0.75 TAAR1 (0.66) RIPK1GAAAOC3TSHRRECQL
SCHEMBL30798978 0.75 TAAR1 (0.66) RIPK1GAAAOC3TSHRRECQL
SCHEMBL10250810 0.74 RIPK1 (0.54) RIPK1GAAAOC3TSHRRECQL
SCHEMBL17278345 0.74 RIPK1 (0.61) RIPK1GAAAOC3TSHRRECQL

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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