SCHEMBL31207396

SCHEMBL31207396

Nc1cc(Cl)c(-c2ccc(OCC3(F)CC3)nc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
BACE1 P56817 4/20 0.35
DGAT1 O75907 5/20 0.34
HTR1A P08908 4/20 0.34
GRM5 P41594 1/20 0.34
SOAT1 P35610 2/20 0.33
KCNH2 Q12809 2/20 0.33
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
PIK3CA P42336 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
FYN P06241 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL31207410 0.82 STIM1 (0.39) STIM1ORAI1DGAT1GRM5KCNH2
SCHEMBL26461251 0.82 STIM1 (0.38) STIM1ORAI1BACE1GRM5KCNH2
SCHEMBL31207488 0.82 STIM1 (0.38) STIM1ORAI1BACE1GRM5KCNH2
SCHEMBL30296156 0.82 STIM1 (0.38) STIM1ORAI1BACE1GRM5KCNH2
SCHEMBL31207452 0.82 STIM1 (0.38) STIM1ORAI1BACE1GRM5KCNH2
SCHEMBL30296556 0.82 PIK3CA (0.43) STIM1ORAI1GRM5PRKAG1PRKAA1
SCHEMBL26458701 0.82 PIK3CA (0.43) STIM1ORAI1GRM5PRKAG1PRKAA1
SCHEMBL30296439 0.81 PIK3CD (0.39) STIM1ORAI1GRM5PRKAG1PRKAA1
SCHEMBL26459791 0.81 PIK3CD (0.39) STIM1ORAI1GRM5PRKAG1PRKAA1
SCHEMBL30296510 0.80 WDR5 (0.43) STIM1ORAI1ALOX5APFEN1

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