SCHEMBL30924112

SCHEMBL30924112

COc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.77
▸ CHRM4 P08173 4/20 0.58
▸ BCHE P06276 1/20 0.57
▸ ACHE P22303 1/20 0.57
▸ PPARG P37231 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL30924062 0.88 EPHX2 (0.70) EPHX2ACHE
SCHEMBL30924138 0.88 EPHX2 (0.70) EPHX2ACHE
SCHEMBL30924137 0.88 EPHX2 (0.70) EPHX2ACHE
SCHEMBL20589000 0.87 EPHX2 (1.00) EPHX2ACHE
SCHEMBL30924058 0.87 EPHX2 (0.69) EPHX2CHRM4ACHE
SCHEMBL30924111 0.87 CHRM4 (0.61) EPHX2CHRM4BCHEACHESIGMAR1
SCHEMBL30924093 0.86 CACNA1G (0.58) EPHX2CHRM4SIGMAR1
SCHEMBL30924135 0.86 BCHE (0.61) EPHX2CHRM4BCHEACHESIGMAR1
SCHEMBL30924072 0.85 EPHX2 (0.67) EPHX2CHRM4ACHE
SCHEMBL30924140 0.85 EPHX2 (0.56) EPHX2CHRM4SIGMAR1

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-4618985-A1 DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN Universitat De Barcelona (ES) 2025-09-24 — — EP disclosed
WO-2024105234-A1 DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN UNIVERSITAT DE BARCELONA (ES) 2024-05-23 — — WO disclosed
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