SCHEMBL31033147

SCHEMBL31033147

O=C1CCN(Cc2ccccc2)c2ccccc2N1CCN1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ DRD2 P14416 4/20 0.50
▸ DRD4 P21917 4/20 0.50
▸ DRD3 P35462 3/20 0.50
▸ CHRM2 P08172 2/20 0.50
▸ CHRM4 P08173 2/20 0.50
▸ CHRM5 P08912 2/20 0.50
▸ CHRM1 P11229 2/20 0.50
▸ CHRM3 P20309 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HRH3 Q9Y5N1 3/20 0.45
▸ APP P05067 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MCHR1 Q99705 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL31033165 0.75 ALDH1A1 (0.52) L3MBTL1DRD2DRD3ALDH1A1TP53
SCHEMBL31033189 0.75 DRD2 (0.64) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL31033213 0.74 DRD2 (0.56) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL2674982 0.74 DRD2 (0.66) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL31033164 0.73 DRD3 (0.52) L3MBTL1DRD2DRD4DRD3CHRM2
SCHEMBL7389188 0.72 L3MBTL1 (0.73) L3MBTL1HRH3POLBSIGMAR1ACHE
SCHEMBL26092493 0.71 KDM4E (0.56) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL31033166 0.71 DRD4 (0.52) DRD2DRD4ALDH1A1TP53MCHR1
SCHEMBL31033153 0.71 ALDH1A1 (0.50) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL31033175 0.71 TP53 (0.50) DRD2DRD3ALDH1A1TP53

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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