SCHEMBL31033192

SCHEMBL31033192

CC(C)(C)OC(=O)N1CCC(=O)N(CCN2CCCCCC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
UTS2R Q9UKP6 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
NR1I3 Q14994 1/20 0.39
BCHE P06276 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL31033144 0.81 MAPK1 (0.45) HDAC1HDAC6ALDH1A1TP53DRD2
SCHEMBL641007 0.73 LMNA (0.51) HDAC1HDAC6KDM1AALDH1A1TP53
SCHEMBL29457581 0.73 LMNA (0.51) HDAC1HDAC6KDM1AALDH1A1TP53
SCHEMBL29960283 0.72 KDM1A (0.48) HDAC1HDAC6KDM1AALDH1A1MAPT
SCHEMBL14380662 0.72 KDM1A (0.48) HDAC1HDAC6KDM1AALDH1A1MAPT
SCHEMBL4369237 0.71 HDAC1 (0.61) HDAC1HDAC6KDM1ADRD2DRD4
SCHEMBL3109454 0.71 HDAC1 (0.54) HDAC1HDAC6KDM1ADRD2POLB
SCHEMBL552069 0.71 NOTUM (0.61) KDM1AALDH1A1MAPTPOLBTSHR
SCHEMBL30900483 0.71 NOTUM (0.61) KDM1AALDH1A1MAPTPOLBTSHR
SCHEMBL30829767 0.71 HDAC1 (0.54) HDAC1HDAC6KDM1ADRD2POLB

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