SCHEMBL31033165

SCHEMBL31033165

O=C1c2ccccc2N(Cc2ccccc2)CCN1CCN1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ DRD3 P35462 2/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ CACNA1I Q9P0X4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ APP P05067 1/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ MAPT P10636 1/20 0.44

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
SCHEMBL31033147 0.75 L3MBTL1 (0.52) ALDH1A1TP53DRD3DRD2HRH3
SCHEMBL26092493 0.75 KDM4E (0.56) ALDH1A1DRD3DRD2HRH3KCNH2
SCHEMBL20622393 0.75 L3MBTL1 (0.58) ALDH1A1CACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL31033164 0.74 DRD3 (0.52) DRD3DRD2HRH3KCNH2CACNA1G
SCHEMBL426981 0.74 KMT2A (0.54) ALDH1A1CACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL26091864 0.74 DRD2 (0.56) ALDH1A1DRD3DRD2HRH3KCNH2
SCHEMBL26091961 0.73 DRD3 (0.53) ALDH1A1DRD3DRD2HRH3KCNH2
SCHEMBL9389160 0.73 ALDH1A1 (0.51) ALDH1A1DRD3DRD2KCNH2L3MBTL1
SCHEMBL31033159 0.73 KDM4E (0.48) ALDH1A1TP53DRD3DRD2HRH3
SCHEMBL26089124 0.72 DRD2 (0.57) ALDH1A1DRD3DRD2KCNH2L3MBTL1

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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