SCHEMBL460975

SCHEMBL460975

COC(=O)C1=CC(C)CC2CCC=C12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.32
CHRM3 P20309 4/20 0.32
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM1 P11229 3/20 0.32
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL818821 0.76 TSHR (0.35) SLC6A3CHRM3LMNA
SCHEMBL819397 0.76 CHRM3 (0.35) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL459785 0.74 SLC6A3 (0.32) SLC6A3
SCHEMBL17145407 0.74 SLC6A3 (0.32) SLC6A3
SCHEMBL17145433 0.71 CA12 (0.31) LMNA
SCHEMBL461375 0.71 ATM (0.36) SLC6A3LMNA
SCHEMBL17145405 0.71 ATM (0.36) SLC6A3LMNA
SCHEMBL459862 0.68 PSEN1 (0.34) SLC6A3
SCHEMBL17145406 0.68 PSEN1 (0.34) SLC6A3
SCHEMBL459352 0.67 ATM (0.40) SLC6A3

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-2012011864-A1 BICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION PARTNERS FÖR UTVECKLINGSINVESTERINGAR INOM LIFE SCIENCES, P.U.L.S. AB (SE) 2012-01-26 WO disclosed