SCHEMBL31469902

SCHEMBL31469902

CC1CN(c2cccc(Br)n2)CCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.51
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CHRM4 P08173 2/20 0.43
ALOX5 P09917 1/20 0.42
MAP4K4 O95819 1/20 0.39
SMO Q99835 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL25340274 0.85 GRM1 (0.52) GRM1CHRM4MAP4K4SMOCHRM2
SCHEMBL25340276 0.85 GRM1 (0.52) GRM1CHRM4MAP4K4SMOCHRM2
SCHEMBL4573088 0.85 CHRM4 (0.58) GRM1CHRM4ALOX5MAP4K4
SCHEMBL31383652 0.83 MAP4K4 (0.58) GRM1CHRM4MAP4K4
SCHEMBL31383595 0.83 MAP4K4 (0.58) GRM1CHRM4MAP4K4
SCHEMBL14837556 0.81 PIK3CD (0.40) GRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12100509 0.78 GRM1 (0.70) GRM1CHRM4SMO
SCHEMBL19994345 0.78 ALOX5 (0.44) GRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19994434 0.78 ALOX5 (0.44) GRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4573077 0.78 CTSB (0.44) GRM1CHRM4MAP4K4

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-2025029897-A1 SUBSTITUTED PYRAZOLOPYRIDINES NEURO3 THERAPEUTICS, INC. (US) 2025-02-06 WO disclosed