SCHEMBL30924157

SCHEMBL30924157

O=C(NCc1ccc(Br)cc1F)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CHRM2 P08172 1/20 0.53
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ BACE1 P56817 1/20 0.53
▸ ERCC1 P07992 1/20 0.53
▸ ERCC4 Q92889 1/20 0.53
▸ CACNA1G O43497 1/20 0.53
▸ CHRM4 P08173 1/20 0.52

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
SCHEMBL30924102 0.88 ACKR3 (0.58) ALDH1A1SIGMAR1BCHEACHEBACE1
SCHEMBL30924140 0.87 EPHX2 (0.56) SIGMAR1CHRM2CACNA1GCHRM4
SCHEMBL30924162 0.84 EPHX2 (0.59) CHRM2CHRM4
SCHEMBL18229245 0.83 P2RX7 (0.60) KDM4EALDH1A1
SCHEMBL30924074 0.82 ACKR3 (0.59) KDM4EALDH1A1CHRM2ERCC1ERCC4
SCHEMBL30924121 0.82 ACKR3 (0.58) ALDH1A1SIGMAR1
SCHEMBL30924122 0.82 ACKR3 (0.58) ALDH1A1SIGMAR1
SCHEMBL30924098 0.81 KDM4E (0.61) KDM4EALDH1A1SIGMAR1CACNA1GCHRM4
SCHEMBL30924051 0.80 ERCC1 (0.59) SIGMAR1ERCC1ERCC4CACNA1G
SCHEMBL30924093 0.79 CACNA1G (0.58) SIGMAR1CHRM2ERCC1ERCC4CACNA1G

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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