SCHEMBL30924111

SCHEMBL30924111

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 7/20 0.61
▸ CHRM2 P08172 6/20 0.60
▸ CHRM1 P11229 4/20 0.60
▸ EPHX2 P34913 2/20 0.58
▸ BCHE P06276 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ CHRM3 P20309 1/20 0.55
▸ PTBP1 P26599 1/20 0.55
▸ SIGMAR1 Q99720 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
SCHEMBL30923923 0.94 EPHX2 (0.60) CHRM4CHRM2CHRM1EPHX2PTBP1
SCHEMBL30924130 0.93 CHRM4 (0.61) CHRM4CHRM2CHRM1EPHX2PTBP1
SCHEMBL30924025 0.92 CACNA1G (0.59) CHRM4CHRM2CHRM1EPHX2ACHE
SCHEMBL30924054 0.91 EPHX2 (0.57) CHRM4CHRM2CHRM1EPHX2PTBP1
SCHEMBL30924024 0.88 ACKR3 (0.55) CHRM4CHRM2CHRM1EPHX2ACHE
SCHEMBL30924123 0.88 CHRM2 (0.59) CHRM4CHRM2CHRM1CHRM3
SCHEMBL30923924 0.88 EPHX2 (0.55) CHRM4CHRM2CHRM1EPHX2PTBP1
SCHEMBL30924127 0.88 EPHX2 (0.58) CHRM4CHRM2CHRM1EPHX2PTBP1
SCHEMBL30924162 0.87 EPHX2 (0.59) CHRM4CHRM2CHRM1EPHX2CHRM3
SCHEMBL30924112 0.87 EPHX2 (0.77) CHRM4EPHX2BCHEACHESIGMAR1

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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