SCHEMBL31346112

SCHEMBL31346112

FC(F)(F)c1ccc2c(c1)CC(c1cc(Br)cs1)O2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.34
PNMT P11086 4/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP8 Q14790 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
TEAD1 P28347 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
SCHEMBL31345993 0.83 KIF11 (0.33) PNMTCASP3CASP7CASP8AADAT
SCHEMBL31346026 0.82 PNMT (0.33) PNMTAADATHRH3PTGS1PTGS2
SCHEMBL31345984 0.80 PNMT (0.35) PNMTAADATHRH3PTGS1PTGS2
SCHEMBL31346002 0.76 TEAD1 (0.42) HTR2CHTR2BTEAD1
SCHEMBL31345963 0.76 TEAD1 (0.42) HTR2CHTR2BTEAD1
SCHEMBL31346056 0.75 TEAD1 (0.34) PNMTCASP3CASP7CASP8TEAD1
SCHEMBL31346022 0.75 FFAR1 (0.39) PNMTTEAD1
SCHEMBL31346136 0.74 CYP11B1 (0.40) PNMTAADATTEAD1
SCHEMBL31346060 0.74 TERT (0.34) PNMTHRH3TEAD1
SCHEMBL31346038 0.74 TERT (0.34) PNMTHRH3TEAD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed