SCHEMBL27046445

SCHEMBL27046445

CNC(C)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 10/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.47
▸ OGA O60502 2/20 0.42
▸ ACACB O00763 2/20 0.40
▸ KIF11 P52732 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ 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
▸ NOTUM Q6P988 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
SCHEMBL20901313 1.00 PDE2A (0.48) PDE2AGPR55OGAACACBKIF11
SCHEMBL879006 0.82 GPR55 (0.45) PDE2AGPR55OGAACACBKIF11
SCHEMBL27043933 0.81 PDE2A (0.47) PDE2AGPR55OGAACACBKIF11
SCHEMBL18237188 0.80 PDE2A (0.61) PDE2AGPR55OGAACACBALDH1A1
SCHEMBL24494541 0.79 GPR55 (0.43) PDE2AGPR55OGAACACBKIF11
SCHEMBL17541572 0.79 PDE2A (0.44) PDE2AGPR55OGAACACBCTNNB1
SCHEMBL3669583 0.79 GPR55 (0.43) PDE2AGPR55OGAACACBKIF11
SCHEMBL20559520 0.79 GPR55 (0.43) PDE2AGPR55OGAACACBKIF11
SCHEMBL6336282 0.79 GPR55 (0.43) PDE2AGPR55OGAACACBKIF11
SCHEMBL30687097 0.79 PDE2A (0.44) PDE2AGPR55OGAACACBCTNNB1

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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