SCHEMBL17685170

SCHEMBL17685170

O=C(O)Oc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cc3c2CCC(C(F)(F)F)C3)o1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL17685131 0.93
SCHEMBL17685152 0.91 SLC6A4 (0.33) SLC6A4SLC6A3TP53MAPT
SCHEMBL17685187 0.88 MAPT (0.40) TP53MAPT
SCHEMBL17685227 0.84 MAPT (0.35) TP53MAPT
SCHEMBL17685132 0.81 MAPT (0.35) TP53MAPT
SCHEMBL17684944 0.81 SLC6A3 (0.31) SLC6A3MAPT
SCHEMBL2990698 0.79 S1PR1 (0.35)
SCHEMBL17685053 0.79 MAPT (0.42) TP53MAPT
SCHEMBL3105744 0.78 S1PR1 (0.35) SLC6A4SLC6A3TP53MAPT
SCHEMBL17685231 0.76 MAPT (0.41) TP53MAPT

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
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP claimed