SCHEMBL31033181

SCHEMBL31033181

CCC(=O)c1ccc2c(c1)oc(=O)n2CCN1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 1.00
▸ TMEM97 Q5BJF2 1/20 0.54
▸ SLC6A2 P23975 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL12359956 0.93 SIGMAR1 (0.87) SIGMAR1TMEM97SLC6A2HTR2ASLC6A4
SCHEMBL12124424 0.91 SIGMAR1 (0.83) SIGMAR1TMEM97
SCHEMBL12124710 0.88 SIGMAR1 (0.77) SIGMAR1
SCHEMBL12124423 0.83 SIGMAR1 (0.71) SIGMAR1TMEM97
SCHEMBL21616830 0.78 SIGMAR1 (0.63) SIGMAR1TMEM97
SCHEMBL12124486 0.78 SLC6A2 (0.82) SIGMAR1SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124611 0.77 SIGMAR1 (0.63) SIGMAR1TMEM97
SCHEMBL10392904 0.77 ALDH1A1 (0.63) SIGMAR1
SCHEMBL12124484 0.77 SIGMAR1 (1.00) SIGMAR1
SCHEMBL2587520 0.75 MIF (0.64) SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024163956-A2 SIGMA RECEPTOR LIGAND COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-08 — — WO disclosed
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