SCHEMBL30924060

SCHEMBL30924060

O=C(NCc1ccc(Br)cc1OC(F)(F)F)C1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ EPHX2 P34913 1/20 0.56
▸ CACNA1G O43497 1/20 0.52
▸ CHRM2 P08172 6/20 0.49
▸ CHRM1 P11229 5/20 0.49
▸ CHRM4 P08173 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ACKR3 P25106 2/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ ALDH1A1 P00352 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
SCHEMBL30924162 0.91 EPHX2 (0.59) EPHX2CHRM2CHRM1CHRM4CHRM3
SCHEMBL30924033 0.90 EPHX2 (0.58) MEN1KMT2AEPHX2CACNA1GCHRM2
SCHEMBL30924127 0.84 EPHX2 (0.58) EPHX2CACNA1GCHRM2CHRM1CHRM4
SCHEMBL30923922 0.84 EPHX2 (0.56) EPHX2CHRM2CHRM1CHRM4CHRM3
SCHEMBL30924090 0.84 EPHX2 (0.57) MEN1KMT2AEPHX2CACNA1GCHRM2
SCHEMBL30924123 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM4ACKR3CHRM3
SCHEMBL30924082 0.80 ERCC1 (0.57) MEN1KMT2AEPHX2CACNA1GCHRM2
SCHEMBL30924111 0.79 CHRM4 (0.61) EPHX2CHRM2CHRM1CHRM4CHRM3
SCHEMBL30924104 0.79 CHRM2 (0.62) CHRM2CHRM1CHRM4CHRM3
SCHEMBL30924157 0.77 KDM4E (0.56) CACNA1GCHRM2CHRM4KDM4EALDH1A1

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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