SCHEMBL23447233

SCHEMBL23447233

C=C(CC)CCc1nc(-c2cc(F)ccc2F)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.34
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA2 P47869 1/20 0.32
PDE2A O00408 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
SCHEMBL23448451 0.83 FFAR1 (0.38) PDE10A
SCHEMBL23447278 0.79 GCGR (0.35) PDE10A
SCHEMBL25973351 0.77 PDE10A (0.36) PDE10A
SCHEMBL23447092 0.76 CRHR1 (0.41)
SCHEMBL23448453 0.76 CNR1 (0.35) PDE10A
SCHEMBL23447270 0.75 PDE10A (0.38) PDE10A
SCHEMBL23447080 0.74 TMEM97 (0.43)
SCHEMBL10304594 0.73 PDE10A (0.43) PDE10A
SCHEMBL25973482 0.72 GCGR (0.41) PDE10APDE2A
SCHEMBL23447218 0.71 HSD11B1 (0.40) PDE10APDE2A

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-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 EP disclosed
WO-2021105101-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed