SCHEMBL11740261

SCHEMBL11740261

C1=CC2CC1CC2(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.36
MAOA P21397 8/20 0.36
CACNA1F O60840 1/20 0.34
AR P10275 1/20 0.34
PDE4A P27815 1/20 0.34
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
SCN7A Q01118 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SCN11A Q9UI33 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KDM1A O60341 5/20 0.33

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
SCHEMBL651196 0.81 ESR2 (0.35) ALOX5AP
SCHEMBL1732423 0.77 MAOB (0.34) MAOBMAOAKDM1AGRIN2DGRIN3B
SCHEMBL1732130 0.77 MAOB (0.52) MAOBMAOAKDM1A
SCHEMBL6528313 0.77 MAOA (0.41) MAOBMAOAKDM1A
SCHEMBL1733750 0.77 MAOB (0.34) MAOBMAOAKDM1AGRIN2DGRIN3B
SCHEMBL231895 0.77 MAOA (0.41) MAOBMAOAKDM1A
SCHEMBL745582 0.77 PTGS2 (0.44) MAOBMAOAOPRM1OPRL1
SCHEMBL17479537 0.74 ELANE (0.40)
SCHEMBL7921355 0.74 ELANE (0.40)
SCHEMBL1733139 0.73 CYP2D6 (0.41) MAOBMAOAKDM1AGRIN2DGRIN3B

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
US-4033982-A REACTING NORBORNENES WITH SULFUR GENERAL ELECTRIC COMPANY (US) 1977-07-05 US disclosed