SCHEMBL9055755

SCHEMBL9055755

CC(=O)OC1CCc2c(c3ccccc3n2Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
HDAC6 Q9UBN7 8/20 0.46
HDAC10 Q969S8 6/20 0.46
HDAC1 Q13547 5/20 0.46

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
SCHEMBL9056969 0.91 CA1 (0.48) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL27475777 0.88 MEN1 (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7408065 0.88 HDAC6 (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7415530 0.82 TBXA2R (0.50) CA1CA2HDAC6HDAC10HDAC1
SCHEMBL8387964 0.81 PTGDR2 (0.58) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL27489205 0.81 CA1 (0.46) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9057318 0.80 HDAC6 (0.48) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9056045 0.80 HDAC1 (0.45) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7411294 0.78 DRD3 (0.58) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL8388005 0.78 PTGDR2 (0.51) CHRM2HTR1AADRA2ACHRM1DRD1

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
CN-1166169-A Heterocyclic compounds, useful as allosteric effectors at muscarinic receptors SANKYO CO (JP) 1997-11-26 CN disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed