SCHEMBL31033166

SCHEMBL31033166

O=C1CCOc2ccccc2N1CCN1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.50
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
MCHR1 Q99705 2/20 0.43

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
SCHEMBL31033170 0.86 DRD4 (0.67) DRD4ALDH1A1TP53KCNH2MEN1
SCHEMBL31033189 0.77 DRD2 (0.64) DRD4ALDH1A1TP53DRD2
SCHEMBL14108085 0.77 NOTUM (0.46) ALDH1A1TP53MEN1KMT2A
SCHEMBL31033213 0.76 DRD2 (0.56) DRD4ALDH1A1TP53MEN1KMT2A
SCHEMBL6714648 0.76 HTR1A (0.49) DRD4DRD2HTR2AMCHR1
SCHEMBL31033183 0.76 KMT2A (0.56) ALDH1A1TP53KCNH2KMT2ADRD2
SCHEMBL2674982 0.76 DRD2 (0.66) DRD4DRD2
SCHEMBL5134628 0.74 DRD4 (0.66) DRD4ALDH1A1KCNH2MEN1KMT2A
SCHEMBL26237334 0.73 PRMT5 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL2754100 0.73 MEN1 (0.53) ALDH1A1MEN1KMT2A

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