SCHEMBL30924130

SCHEMBL30924130

COc1cc(OC(F)(F)F)ccc1CNC(=O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 11/20 0.61
▸ CHRM2 P08172 4/20 0.60
▸ CHRM1 P11229 2/20 0.60
▸ PTBP1 P26599 1/20 0.55
▸ ACKR3 P25106 1/20 0.55
▸ EPHX2 P34913 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
SCHEMBL30924111 0.93 CHRM4 (0.61) CHRM4CHRM2CHRM1PTBP1EPHX2
SCHEMBL30923923 0.87 EPHX2 (0.60) CHRM4CHRM2CHRM1PTBP1ACKR3
SCHEMBL31716864 0.85 KDM4E (0.56) CHRM4CHRM2EPHX2
SCHEMBL30924025 0.85 CACNA1G (0.59) CHRM4CHRM2CHRM1PTBP1EPHX2
SCHEMBL30924123 0.84 CHRM2 (0.59) CHRM4CHRM2CHRM1ACKR3
SCHEMBL30924054 0.84 EPHX2 (0.57) CHRM4CHRM2CHRM1PTBP1EPHX2
SCHEMBL30924162 0.83 EPHX2 (0.59) CHRM4CHRM2CHRM1EPHX2
SCHEMBL30924112 0.83 EPHX2 (0.77) CHRM4EPHX2
SCHEMBL30924024 0.83 ACKR3 (0.55) CHRM4CHRM2CHRM1PTBP1ACKR3
SCHEMBL30924135 0.81 BCHE (0.61) CHRM4ACKR3EPHX2

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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