SCHEMBL17115679

SCHEMBL17115679

CC(=O)Cc1ccc(N2CC(F)(F)C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 12/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.36
▸ WNT3A P56704 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ ALOX5AP P20292 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL15709817 0.85 AOC3 (0.38) AOC3HRH3RXRAGRIN1GRIN2B
SCHEMBL17115672 0.81 AOC3 (0.46) AOC3HRH3RORC
SCHEMBL17115674 0.79 LNPEP (0.38) AOC3LRRK2
SCHEMBL17115658 0.77 POLB (0.44) RXRARORC
SCHEMBL18860890 0.72 GLS (0.58) WNT3A
SCHEMBL17115637 0.71 AOC3 (0.38) AOC3HRH3
SCHEMBL17115619 0.71 CACNA1H (0.46) AOC3WNT3A
SCHEMBL25354279 0.71 LIMK1 (0.35) AOC3HRH3RXRAGRIN1GRIN2B
SCHEMBL25352172 0.71 LRRK2 (0.33) AOC3RXRAGRIN1GRIN2BALOX5AP
SCHEMBL18860888 0.70 GLS (0.49) HRH3WNT3A

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-2015143340-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO disclosed
Send feedback