SCHEMBL18070945

SCHEMBL18070945

O=C(Nc1cncc(C(F)(F)F)c1)c1nccnc1NC[C@@H]1CCC[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 8/20 0.43
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ WNT1 P04628 1/20 0.37
▸ USP36 Q9P275 4/20 0.36
▸ KDR P35968 4/20 0.36
▸ AR P10275 1/20 0.35
▸ MAPT P10636 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
SCHEMBL18070942 1.00 SCN10A (0.43) SCN10AIDO1TDO2WNT1USP36
SCHEMBL18070898 0.86 MAPT (0.48) IDO1TDO2KDRMAPT
SCHEMBL18070893 0.86 MAPT (0.48) IDO1TDO2KDRMAPT
SCHEMBL18048941 0.86 MAPT (0.48) IDO1TDO2KDRMAPT
SCHEMBL18070941 0.86 KDR (0.52) SCN10AKDRMAPT
SCHEMBL18048990 0.86 KDR (0.52) SCN10AKDRMAPT
SCHEMBL18070948 0.86 KDR (0.52) SCN10AKDRMAPT
SCHEMBL18048937 0.84 MAPT (0.48) IDO1TDO2KDRMAPT
SCHEMBL18070929 0.84 MAPT (0.48) IDO1TDO2KDRMAPT
SCHEMBL18070978 0.84 MAPT (0.48) IDO1TDO2KDRMAPT

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-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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