SCHEMBL27043933

SCHEMBL27043933

CC(NC=O)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 9/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.43
▸ OGA O60502 2/20 0.42
▸ ACACB O00763 2/20 0.39
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ GPR183 P32249 1/20 0.34

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
SCHEMBL27046445 0.81 PDE2A (0.48) PDE2AGPR55OGAACACBKIF11
SCHEMBL20901313 0.81 PDE2A (0.48) PDE2AGPR55OGAACACBKIF11
SCHEMBL18237188 0.78 PDE2A (0.61) PDE2AGPR55OGAACACBCTNNB1
SCHEMBL879006 0.77 GPR55 (0.45) PDE2AGPR55OGAACACBPIK3CA
SCHEMBL17753763 0.75 PTGS1 (0.54) —
SCHEMBL27046360 0.75 HPGD (0.53) —
SCHEMBL24494541 0.74 GPR55 (0.43) PDE2AGPR55OGAACACBPIK3CA
SCHEMBL17541572 0.74 PDE2A (0.44) PDE2AGPR55OGAACACBCTNNB1
SCHEMBL6336282 0.74 GPR55 (0.43) PDE2AGPR55OGAACACBPIK3CA
SCHEMBL20559520 0.74 GPR55 (0.43) PDE2AGPR55OGAACACBPIK3CA

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-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 — — EP disclosed
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