SCHEMBL30503564

SCHEMBL30503564

c1cc(C2CC2)ccc1C[C@H]1CCC2(CNC2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.36
ESR1 P03372 2/20 0.36
SPHK1 Q9NYA1 1/20 0.33
GBA1 P04062 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
IDO1 P14902 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL25409715 1.00 ESR2 (0.36) ESR2ESR1SPHK1GBA1CYP3A4
Hydrochloric Acid SCHEMBL25411981 0.81 GBA1 (0.50) GBA1
SCHEMBL29497379 0.77 FFAR4 (0.37)
SCHEMBL25145844 0.77 CCR5 (0.42) KDM1A
SCHEMBL25411997 0.75 NAMPT (0.37) ESR2ESR1NAMPT
SCHEMBL25145996 0.74 PTPRZ1 (0.39) NAMPT
SCHEMBL25146005 0.74 PTPRZ1 (0.39) NAMPT
SCHEMBL25598259 0.74 TRPA1 (0.38) GBA1
SCHEMBL19693633 0.73 GBA1 (0.51) GBA1CYP3A4CYP2C9KDM1AMAOB
SCHEMBL25412054 0.72 FFAR4 (0.38)

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed