SCHEMBL25973285

SCHEMBL25973285

CCCCOC(=O)CCc1nc(-c2ccc(F)cc2F)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GCGR P47871 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
AOC3 Q16853 2/20 0.36
ATM Q13315 1/20 0.36
SLC34A1 Q06495 1/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
FAAH O00519 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23447250 0.97 CNR1 (0.39) ALDH1A1CNR1CNR2KDM4EGCGR
SCHEMBL23447204 0.90 GRM5 (0.38) ALDH1A1CNR1CNR2KDM4ENPC1
SCHEMBL25973482 0.85 GCGR (0.41) CNR1CNR2GCGRNPC1MAPT
SCHEMBL25973316 0.84 GCGR (0.41) ALDH1A1CNR1CNR2GCGRNPC1
SCHEMBL23447271 0.82 ALDH1A1 (0.39) ALDH1A1CNR1CNR2GCGRNPC1
SCHEMBL24425234 0.80 CNR1 (0.42) ALDH1A1CNR1CNR2KDM4EKMT2A
SCHEMBL24407543 0.79 CNR1 (0.39) ALDH1A1CNR1CNR2GCGRNPC1
SCHEMBL23448453 0.78 CNR1 (0.35) CNR1CNR2KDM4EGCGRNPC1
SCHEMBL24408960 0.78 CNR1 (0.43) ALDH1A1CNR1CNR2GCGRMAPT
SCHEMBL23447270 0.76 PDE10A (0.38) KDM4ENPC1MAPTRAB9AAOC3

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-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