SCHEMBL25154530

SCHEMBL25154530

FC(F)(F)c1cccc(N2CC3CCCC3C2)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.60
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
ACACB O00763 8/20 0.46
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SMPD3 Q9NY59 1/20 0.42
IDH1 O75874 1/20 0.42
CXCR3 P49682 1/20 0.41
GRM4 Q14833 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL20858757 0.82 GRIN2B (0.57) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL4483176 0.81 GRIN2B (0.56) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL16497829 0.80 GRIN2B (0.53) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL1335289 0.80 GRIN2B (0.56) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL15908894 0.80 GRIN2B (0.56) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL65166 0.80 GRIN2B (0.53) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL16495055 0.79 GRIN2B (0.52) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL15909078 0.79 GRIN2B (0.52) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL44500 0.79 GRIN2B (0.52) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL15918310 0.78 GRIN2B (0.49) GRIN2BHRH3CXCR3

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-2023064345-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed