SCHEMBL30924119

SCHEMBL30924119

N#Cc1ccc(CNC(=O)C2CCN(CCc3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.52
▸ HTR2A P28223 1/20 0.50
▸ CHRM4 P08173 4/20 0.49
▸ EPHX2 P34913 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CCR3 P51677 1/20 0.47
▸ ACKR3 P25106 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL30924073 0.91 CHRM4 (0.59) P2RX7CHRM4ALDH1A1ACKR3
SCHEMBL30924124 0.88 EPHX2 (0.63) P2RX7EPHX2ACKR3
SCHEMBL30924006 0.86 EPHX2 (0.55) HTR2ACHRM4EPHX2
SCHEMBL30924120 0.83 CHRM2 (0.53) HTR2ACHRM4EPHX2
SCHEMBL30924141 0.81 ERCC1 (0.60) P2RX7CHRM4EPHX2
SCHEMBL30924038 0.79 P2RX7 (0.48) P2RX7CHRM4EPHX2ALDH1A1ACKR3
SCHEMBL30924146 0.79 ACKR3 (0.53) P2RX7CHRM4EPHX2ALDH1A1ACKR3
SCHEMBL30924153 0.79 P2RX7 (0.58) P2RX7EPHX2ALDH1A1
SCHEMBL30924136 0.78 SIGMAR1 (0.67) P2RX7EPHX2ACKR3
SCHEMBL12685848 0.77 CHRM4 (0.67) CHRM4ALDH1A1ACKR3NPSR1

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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