SCHEMBL8970569

SCHEMBL8970569

Cc1c(OC(F)(F)F)cc(Cl)c2c1N=C1CCCCCN1C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.44
CACNA2D1 P54289 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
HSD11B1 P28845 1/20 0.31
S1PR1 P21453 2/20 0.31

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
SCHEMBL8969136 0.82 ACHE (0.52) ACHE
SCHEMBL8969376 0.81 ACHE (0.51) ACHE
SCHEMBL8968979 0.81 ACHE (0.50) ACHE
SCHEMBL8968930 0.77 ACHE (0.47) ACHE
SCHEMBL8969960 0.76 ACHE (0.51) ACHE
SCHEMBL8969689 0.76 ACHE (0.52) ACHECACNA2D1CACNA2D2S1PR1
SCHEMBL8969937 0.76 ACHE (0.52) ACHECACNA2D1CACNA2D2S1PR1
SCHEMBL8968928 0.76 ACHE (0.55) ACHE
SCHEMBL8968853 0.73 ACHE (0.51) ACHE
SCHEMBL8969524 0.73 ACHE (0.51) ACHE

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed