SCHEMBL4370754

SCHEMBL4370754

CN(C(=O)O)c1ccc(C#C[Si](C)(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA5 P31644 5/20 0.34
GABRA3 P34903 5/20 0.34
GABRA2 P47869 5/20 0.34
GABRA6 Q16445 2/20 0.34
GABRA4 P48169 2/20 0.34
HCAR3 P49019 1/20 0.33
ADK P55263 2/20 0.33
OGA O60502 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM5 P41594 4/20 0.32
USP30 Q70CQ3 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
SCHEMBL483990 0.81 GABRA1 (0.37) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL17038144 0.81 GABRA5 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4374387 0.80 FGFR4 (0.43) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7604375 0.74 P4HTM (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4034638 0.73 JAK2 (0.40) OGAUSP30
SCHEMBL30223758 0.72 FFAR1 (0.69) FFAR1
SCHEMBL2806910 0.71 RAB9A (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4370752 0.71 FFAR1 (0.43) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL15173773 0.70 HCAR3 (0.38) HCAR3
SCHEMBL2099047 0.70 GBA1 (0.50) HCAR3

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-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed