SCHEMBL24650341

SCHEMBL24650341

COC(=O)CCCCc1cccc2c1CC(N)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
HPGD P15428 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL24650329 0.96 DRD2 (0.38) DRD2DRD3HPGDMTNR1ATSHR
SCHEMBL24650298 0.91 DRD2 (0.40) DRD2DRD3GAATSHR
SCHEMBL24650340 0.84 S1PR5 (0.41) DRD2DRD3
SCHEMBL24650954 0.84 HPGD (0.36) CYP4F2CYP4A11NR5A2NR5A1HPGD
SCHEMBL24650352 0.84 CYP4F2 (0.49) CYP4F2CYP4A11DRD2GAA
SCHEMBL24650927 0.83 HPGD (0.36) CYP4F2CYP4A11DRD2DRD3NR5A2
SCHEMBL24650294 0.83 DRD2 (0.41) DRD2DRD3LMNAMTNR1AMTNR1B
SCHEMBL24651027 0.81 ADRA1A (0.54) NR5A2NR5A1HPGDHDAC1HDAC6
SCHEMBL24651017 0.81 DRD2 (0.34) DRD2DRD3NR5A2NR5A1HPGD
SCHEMBL24650333 0.80 S1PR5 (0.44) DRD2DRD3HDAC1HDAC6

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed