SCHEMBL28880406

SCHEMBL28880406

C[C@@H](OC(N)=O)c1cc(F)cc(Br)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL28880408 1.00 TRPM8 (0.31) TRPM8CES2CES1
SCHEMBL28880414 0.78 TRPA1 (0.32)
SCHEMBL28880416 0.78 TRPA1 (0.32)
SCHEMBL31159352 0.77
SCHEMBL28657169 0.73 CA9 (0.39) CES2CES1
SCHEMBL28657167 0.73 CA9 (0.39) CES2CES1
SCHEMBL28690149 0.73 CES2 (0.40) TRPM8CES2CES1
SCHEMBL28690146 0.73 CES2 (0.40) TRPM8CES2CES1
SCHEMBL23526123 0.72 PDE2A (0.35)
SCHEMBL23526125 0.72 PDE2A (0.35)

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
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed