SCHEMBL30924024

SCHEMBL30924024

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.55
▸ EPHX2 P34913 5/20 0.55
▸ CACNA1G O43497 1/20 0.52
▸ PTBP1 P26599 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CHRM4 P08173 2/20 0.51
▸ ACHE P22303 1/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ MCHR1 Q99705 2/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CHRM1 P11229 1/20 0.51

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 0.94 EPHX2 (0.60) ACKR3EPHX2CACNA1GPTBP1MEN1
SCHEMBL30924127 0.90 EPHX2 (0.58) ACKR3EPHX2CACNA1GPTBP1CHRM4
SCHEMBL30924082 0.90 ERCC1 (0.57) ACKR3EPHX2CACNA1GPTBP1MEN1
SCHEMBL30924025 0.89 CACNA1G (0.59) EPHX2CACNA1GPTBP1MEN1KMT2A
SCHEMBL30924123 0.89 CHRM2 (0.59) ACKR3CHRM4KCNH2MCHR1CHRM2
SCHEMBL30924109 0.89 CHRM2 (0.53) ACKR3EPHX2CACNA1GPTBP1CHRM4
SCHEMBL30924054 0.89 EPHX2 (0.57) EPHX2CACNA1GPTBP1MEN1KMT2A
SCHEMBL30924111 0.88 CHRM4 (0.61) EPHX2PTBP1CHRM4ACHECHRM2
SCHEMBL30924137 0.87 EPHX2 (0.70) ACKR3EPHX2CACNA1GMEN1KMT2A
SCHEMBL30924138 0.87 EPHX2 (0.70) ACKR3EPHX2CACNA1GMEN1KMT2A

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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