SCHEMBL24650340

SCHEMBL24650340

NC1Cc2cccc(CCCCC(=O)O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.41
F13A1 P00488 3/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TBXA2R P21731 1/20 0.39
LTB4R Q15722 5/20 0.39
TBXAS1 P24557 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL24650333 0.96 S1PR5 (0.44) S1PR5F13A1MAPTRXFP1TBXA2R
SCHEMBL24650341 0.84 CYP4F2 (0.39) DRD2DRD3
SCHEMBL24650329 0.80 DRD2 (0.38) MAPTDRD2DRD3
SCHEMBL24650946 0.80 F13A1 (0.42) F13A1MAPTRXFP1LTB4RTBXAS1
SCHEMBL24650934 0.80 F13A1 (0.43) F13A1MAPTRXFP1LTB4RDRD2
SCHEMBL24650352 0.78 CYP4F2 (0.49) TBXAS1DRD2
SCHEMBL526993 0.78 TBXA2R (0.55) S1PR5TBXA2RDRD2DRD3
SCHEMBL30961658 0.77 PNMT (0.54) S1PR5F13A1MAPTRXFP1LTB4R
SCHEMBL24650952 0.77 SLC22A12 (0.36) F13A1MAPTRXFP1TBXAS1DRD2
SCHEMBL24650298 0.77 DRD2 (0.40) TBXA2RDRD2DRD3

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