SCHEMBL26345035

SCHEMBL26345035

C[C@H](N)c1cc(O[C@@H]2CCOC2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
SOS1 Q07889 4/20 0.41
S1PR3 Q99500 2/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 3/20 0.38
EGFR P00533 1/20 0.37
IDH1 O75874 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
GRM5 P41594 2/20 0.36

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
SCHEMBL26345002 1.00 ACACB (0.43) ACACBSOS1S1PR3PTGS1PTGS2
Hydrochloric Acid SCHEMBL29199862 0.99 ACACB (0.43) ACACBSOS1S1PR3PTGS1PTGS2
Hydrochloric Acid SCHEMBL29199858 0.99 ACACB (0.43) ACACBSOS1S1PR3PTGS1PTGS2
Hydrochloric Acid SCHEMBL29199860 0.99 ACACB (0.43) ACACBSOS1S1PR3PTGS1PTGS2
Hydrochloric Acid SCHEMBL29588154 0.99 ACACB (0.43) ACACBSOS1S1PR3PTGS1PTGS2
Hydrochloric Acid SCHEMBL29199859 0.99 ACACB (0.43) ACACBSOS1S1PR3PTGS1PTGS2
SCHEMBL26343440 0.89 ACACB (0.45) ACACBSOS1S1PR3PTGS1PTGS2
SCHEMBL26343430 0.89 ACACB (0.45) ACACBSOS1S1PR3PTGS1PTGS2
SCHEMBL26343438 0.89 ACACB (0.45) ACACBSOS1S1PR3PTGS1PTGS2
SCHEMBL26343560 0.85 ACACB (0.42) ACACBSOS1S1PR3PTGS1PTGS2

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
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 EP disclosed