SCHEMBL31207488

SCHEMBL31207488

Nc1cc(Cl)c(-c2ccc(OC[C@H]3CC3(F)F)nc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.38
ORAI1 Q96D31 2/20 0.38
WDR5 P61964 2/20 0.33
BACE1 P56817 1/20 0.33
GRM5 P41594 1/20 0.33
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
ACACB O00763 3/20 0.33
SCN9A Q15858 1/20 0.32
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
PAICS P22234 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 1/20 0.31
PTGES O14684 2/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL26461251 1.00 STIM1 (0.38) STIM1ORAI1WDR5BACE1GRM5
SCHEMBL30296156 1.00 STIM1 (0.38) STIM1ORAI1WDR5BACE1GRM5
SCHEMBL31207452 1.00 STIM1 (0.38) STIM1ORAI1WDR5BACE1GRM5
SCHEMBL30296510 0.85 WDR5 (0.43) STIM1ORAI1WDR5ALOX5APFEN1
SCHEMBL26460478 0.85 WDR5 (0.43) STIM1ORAI1WDR5ALOX5APFEN1
SCHEMBL31207487 0.83 SCN9A (0.43) WDR5ALOX5APFEN1SCN9APAICS
SCHEMBL30296242 0.82 TDO2 (0.38) STIM1ORAI1ALOX5APFEN1PRKAG1
SCHEMBL26459805 0.82 TDO2 (0.38) STIM1ORAI1ALOX5APFEN1PRKAG1
SCHEMBL31207396 0.82 STIM1 (0.39) STIM1ORAI1BACE1GRM5ALOX5AP
SCHEMBL30296556 0.80 PIK3CA (0.43) STIM1ORAI1GRM5PRKAG1PRKAA1

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-4702021-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2026-03-04 EP disclosed
WO-2024224064-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2024-10-31 WO disclosed