SCHEMBL30923922

SCHEMBL30923922

O=C(NCc1ccc(Br)cc1OC(F)(F)F)C1CCN(Cc2ccsc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.56
▸ CHRM4 P08173 2/20 0.44
▸ CHRM2 P08172 7/20 0.44
▸ CHRM1 P11229 6/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL30923928 0.90 KCNH2 (0.50) EPHX2CHRM4CHRM2CHRM1CHRM3
SCHEMBL30923924 0.88 EPHX2 (0.55) EPHX2CHRM4CHRM2CHRM1
SCHEMBL30923926 0.88 CHRM2 (0.49) EPHX2CHRM4CHRM2CHRM1CHRM3
SCHEMBL30924162 0.87 EPHX2 (0.59) EPHX2CHRM4CHRM2CHRM1CHRM3
SCHEMBL30924033 0.86 EPHX2 (0.58) EPHX2CHRM4CHRM2CHRM1CHRM3
SCHEMBL30923925 0.86 EPHX2 (0.52) EPHX2KCNH2MCHR1ERCC1ERCC4
SCHEMBL30924060 0.84 MEN1 (0.57) EPHX2CHRM4CHRM2CHRM1CHRM3
SCHEMBL30924127 0.84 EPHX2 (0.58) EPHX2CHRM4CHRM2CHRM1ALDH1A1
SCHEMBL30924090 0.80 EPHX2 (0.57) EPHX2CHRM4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL30924164 0.77 EPHX2 (0.59) EPHX2CHRM1CHRM3ALDH1A1MCHR1

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 4 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 claimed
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 claimed
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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