SCHEMBL8665185

SCHEMBL8665185

Cc1cc(C#N)cc(C)c1O.Cc1cc(C#N)cc(C)c1OCCCc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.43
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
EGLN1 Q9GZT9 3/20 0.38
HRH1 P35367 2/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL8663366 0.94 SCN8A (0.47) SCN8ACYP3A4CYP2D6CYP2C9HRH1
SCHEMBL8992092 0.79 SCN8A (0.39) SCN8A
SCHEMBL8824506 0.77 SCN8A (0.37) SCN8ACYP3A4CYP2D6CYP2C9PTGS1
SCHEMBL8824433 0.74 SCN8A (0.38) SCN8ACYP3A4CYP2D6CYP2C9PTGS1
SCHEMBL8824480 0.74 SCN8A (0.38) SCN8ACYP3A4CYP2D6CYP2C9PTGS1
SCHEMBL8922786 0.73 SCN8A (0.42) SCN8ACYP3A4CYP2D6CYP2C9HRH1
SCHEMBL8923732 0.72 SCN8A (0.43) SCN8ACYP3A4CYP2D6CYP2C9HRH1
SCHEMBL8824523 0.72 SCN8A (0.37) SCN8AMAPTSMN1; SMN2
SCHEMBL8923501 0.72 SCN8A (0.49) SCN8ACYP3A4CYP2D6CYP2C9HRH1
SCHEMBL8554117 0.70 GRM5 (0.39) SCN8ALMNAMAPTSMN1; SMN2

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
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed