SCHEMBL30924093

SCHEMBL30924093

O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 4/20 0.58
▸ EPHX2 P34913 3/20 0.57
▸ ERCC1 P07992 1/20 0.56
▸ ERCC4 Q92889 1/20 0.56
▸ CHRM4 P08173 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.55
▸ CHRM2 P08172 1/20 0.55
▸ P2RX7 Q99572 1/20 0.54
▸ PTBP1 P26599 1/20 0.54

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
SCHEMBL30924132 0.94 ERCC1 (0.64) CACNA1GEPHX2ERCC1ERCC4P2RX7
SCHEMBL30924133 0.94 ERCC1 (0.64) CACNA1GEPHX2ERCC1ERCC4P2RX7
SCHEMBL30924015 0.90 ERCC1 (0.57) CACNA1GEPHX2ERCC1ERCC4P2RX7
SCHEMBL30924140 0.89 EPHX2 (0.56) CACNA1GEPHX2CHRM4SIGMAR1CHRM2
SCHEMBL30924062 0.88 EPHX2 (0.70) CACNA1GEPHX2ERCC1ERCC4P2RX7
SCHEMBL30924103 0.87 CHRM4 (0.59) EPHX2CHRM4CHRM2
SCHEMBL30924107 0.87 ERCC1 (0.60) CACNA1GEPHX2ERCC1ERCC4PTBP1
SCHEMBL30924112 0.86 EPHX2 (0.77) EPHX2CHRM4SIGMAR1
SCHEMBL30924117 0.86 EPHX2 (0.54) EPHX2ERCC1ERCC4P2RX7
SCHEMBL30924051 0.86 ERCC1 (0.59) CACNA1GEPHX2ERCC1ERCC4SIGMAR1

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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