SCHEMBL17115671

SCHEMBL17115671

CC(=O)Cc1cc(N2CC(F)C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 6/20 0.37
▸ ACACB O00763 6/20 0.37
▸ LNPEP Q9UIQ6 2/20 0.36
▸ CHRM2 P08172 4/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ WNT3A P56704 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ AOC3 Q16853 1/20 0.32

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
SCHEMBL15752631 0.87 LNPEP (0.37) CHRM4ACACBLNPEPCHRM2WNT3A
SCHEMBL15743126 0.87 LRRK2 (0.39) CHRM4ACACBLNPEPCHRM2LRRK2
SCHEMBL20376814 0.86 LNPEP (0.36) CHRM4ACACBLNPEPCHRM2LRRK2
SCHEMBL15709869 0.85 AOC3 (0.39) CHRM4ACACBLNPEPCHRM2LRRK2
SCHEMBL17115674 0.81 LNPEP (0.38) ACACBLNPEPLRRK2AOC3
SCHEMBL25914355 0.76 PDE10A (0.42) —
SCHEMBL15710131 0.73 AOC3 (0.37) CHRM4ACACBLNPEPCHRM2AOC3
SCHEMBL17115678 0.70 AOC3 (0.40) ACACBAOC3
SCHEMBL18860891 0.70 GLS (0.47) WNT3A
SCHEMBL20392420 0.70 AOC3 (0.36) CHRM4ACACBLNPEPCHRM2AOC3

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
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