SCHEMBL31332008

SCHEMBL31332008

COc1cccc2c1CCC=C2CC#N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
ABCB1 P08183 2/20 0.50
ACHE P22303 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL17187820 1.00 SIGMAR1 (0.53) SIGMAR1ABCB1ACHEDRD2DRD4
SCHEMBL13185550 0.83 SIGMAR1 (0.53) SIGMAR1ABCB1ACHEPTGIRPTGDR
Hydrochloric Acid SCHEMBL11079501 0.81 SIGMAR1 (0.51) SIGMAR1ABCB1ACHEPTGIRPTGDR
SCHEMBL9448055 0.79 SIGMAR1 (0.41) SIGMAR1ABCB1ACHECYP19A1KDM4E
SCHEMBL5210865 0.77 SIGMAR1 (0.60) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL14431503 0.77 SIGMAR1 (0.60) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL5208400 0.75 SIGMAR1 (0.55) SIGMAR1ABCB1PTGIRPTGDRKDM4E
SCHEMBL13167578 0.74 SIGMAR1 (0.44) SIGMAR1ABCB1ACHECYP19A1KDM4E
SCHEMBL21822788 0.73 SIGMAR1 (0.43) SIGMAR1ABCB1ACHECYP19A1KDM4E
SCHEMBL12086775 0.73 SIGMAR1 (0.45) SIGMAR1ABCB1PTGIRPTGDRKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532462-A1 COMPOUNDS Psylo Pty Ltd (AU) 2025-04-09 EP disclosed
CN-119384406-A Compounds of formula (I) 赛洛私人有限公司 2025-01-28 CN disclosed