SCHEMBL8717062

SCHEMBL8717062

C[C@@](N)(CN1CCCC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
CHRM2 P08172 4/20 0.45
CHRM1 P11229 4/20 0.45
HTR1A P08908 3/20 0.45
OPRM1 P35372 3/20 0.45
KCNH2 Q12809 3/20 0.45
CYP2D6 P10635 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.43
DRD1 P21728 2/20 0.42
DRD3 P35462 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL20976187 0.84 GAA (0.53) MEN1KMT2AOPRM1LMNASIGMAR1
SCHEMBL4632546 0.84 GAA (0.53) MEN1KMT2AOPRM1LMNASIGMAR1
SCHEMBL8720326 0.84 HRH3 (0.44) MEN1KMT2ACHRM2NPSR1DRD3
Hydrochloric Acid SCHEMBL4169355 0.83 GAA (0.52) MEN1KMT2AOPRM1LMNA
SCHEMBL14354524 0.76 CHRM2 (0.56) CYP2B6MEN1KMT2ACHRM2CHRM1
SCHEMBL6425483 0.76 KCNA3 (0.44) OPRM1CYP2D6KDM4EKCNA3
SCHEMBL8267456 0.75 SLC6A2 (0.50) ATMCYP2D6LMNASIGMAR1SLC6A2
SCHEMBL13099830 0.74 CYP2B6 (0.47) CYP2B6MEN1KMT2AATMCHRM2
SCHEMBL12073029 0.73 CHRM2 (0.51) CYP2B6MEN1KMT2ACHRM2CHRM1
SCHEMBL8570755 0.73 CHRM2 (0.66) MEN1KMT2ACHRM2CHRM1HTR1A

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-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed