SCHEMBL30924015

SCHEMBL30924015

O=C(NCc1ccc(F)cc1C(F)(F)F)C1CCN(Cc2ccc(I)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.57
▸ ERCC4 Q92889 1/20 0.57
▸ EPHX2 P34913 4/20 0.55
▸ HTR2A P28223 1/20 0.53
▸ P2RX7 Q99572 8/20 0.52
▸ CACNA1G O43497 2/20 0.50
▸ PTBP1 P26599 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ MCHR1 Q99705 1/20 0.50

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
SCHEMBL30924133 0.94 ERCC1 (0.64) ERCC1ERCC4EPHX2P2RX7CACNA1G
SCHEMBL30924132 0.94 ERCC1 (0.64) ERCC1ERCC4EPHX2P2RX7CACNA1G
SCHEMBL30924093 0.90 CACNA1G (0.58) ERCC1ERCC4EPHX2P2RX7CACNA1G
SCHEMBL30924144 0.89 EPHX2 (0.54) ERCC1ERCC4EPHX2HTR2AKCNH2
SCHEMBL30924067 0.88 EPHX2 (0.52) ERCC1ERCC4EPHX2HTR2AKCNH2
SCHEMBL30924062 0.88 EPHX2 (0.70) ERCC1ERCC4EPHX2P2RX7CACNA1G
SCHEMBL30924107 0.87 ERCC1 (0.60) ERCC1ERCC4EPHX2CACNA1GPTBP1
SCHEMBL30924051 0.86 ERCC1 (0.59) ERCC1ERCC4EPHX2P2RX7CACNA1G
SCHEMBL30924117 0.85 EPHX2 (0.54) ERCC1ERCC4EPHX2P2RX7KCNH2
SCHEMBL30924042 0.85 ERCC1 (0.60) ERCC1ERCC4EPHX2CACNA1GPTBP1

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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