SCHEMBL31033174

SCHEMBL31033174

O=C1c2ccccc2OCCN1CCN1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 4/20 0.49
▸ WDR77 Q9BQA1 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HRH3 Q9Y5N1 6/20 0.47
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ TERT O14746 1/20 0.43
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL31033183 0.80 KMT2A (0.56) ALDH1A1TP53DRD2DRD3KMT2A
SCHEMBL9368923 0.79 PRMT5 (0.47) PRMT5WDR77DRD2DRD3KMT2A
SCHEMBL38653482 0.78 PRMT5 (0.51) PRMT5WDR77KMT2AGRM5
SCHEMBL9023866 0.78 PRMT5 (0.46) PRMT5WDR77DRD2DRD3KMT2A
SCHEMBL9024811 0.77 PRMT5 (0.46) PRMT5WDR77ALDH1A1DRD2DRD3
SCHEMBL11985664 0.75 PRMT5 (0.49) PRMT5WDR77
SCHEMBL9024164 0.75 SIGMAR1 (0.50) TP53KMT2A
SCHEMBL9024576 0.74 SIGMAR1 (0.51) TP53KMT2A
SCHEMBL9369658 0.74 DRD3 (0.67) ALDH1A1DRD2DRD3
SCHEMBL28823671 0.74 PRMT5 (0.48) PRMT5WDR77KMT2A

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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