SCHEMBL30924109

SCHEMBL30924109

COc1ccc(CN2CCC(C(=O)NCc3ccc(C#N)cc3OC(F)(F)F)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.53
▸ CHRM1 P11229 5/20 0.53
▸ EPHX2 P34913 5/20 0.53
▸ CACNA1G O43497 1/20 0.50
▸ PTBP1 P26599 1/20 0.50
▸ CHRM4 P08173 5/20 0.49
▸ ACKR3 P25106 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL30923923 0.91 EPHX2 (0.60) CHRM2CHRM1EPHX2CACNA1GPTBP1
SCHEMBL30924069 0.91 ERCC1 (0.55) CHRM2CHRM1CACNA1GPTBP1CHRM4
SCHEMBL30924104 0.90 CHRM2 (0.62) CHRM2CHRM1CHRM4
SCHEMBL30924024 0.89 ACKR3 (0.55) CHRM2CHRM1EPHX2CACNA1GPTBP1
SCHEMBL30924072 0.88 EPHX2 (0.67) CHRM2CHRM1EPHX2CACNA1GCHRM4
SCHEMBL30924127 0.88 EPHX2 (0.58) CHRM2CHRM1EPHX2CACNA1GPTBP1
SCHEMBL30924025 0.87 CACNA1G (0.59) CHRM2CHRM1EPHX2CACNA1GPTBP1
SCHEMBL30924054 0.86 EPHX2 (0.57) CHRM2CHRM1EPHX2CACNA1GPTBP1
SCHEMBL30924111 0.86 CHRM4 (0.61) CHRM2CHRM1EPHX2PTBP1CHRM4
SCHEMBL30924146 0.86 ACKR3 (0.53) CHRM2CHRM1EPHX2CACNA1GPTBP1

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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