SCHEMBL1672241

SCHEMBL1672241

CCn1nc(CNC2CN3CCC2CC3)c2c(C(=O)O)c(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR3A P46098 1/20 0.36
ATM Q13315 1/20 0.35
CHRNA7 P36544 1/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL1672243 0.91 SIGMAR1 (0.38) MEN1KMT2AHTR3AATMCHRNA7
SCHEMBL1672396 0.90 GAA (0.35) GAAMEN1KMT2ASMN1; SMN2HTR3A
SCHEMBL1673270 0.88 GAA (0.38) GAAMEN1KMT2ASMN1; SMN2CHRNA7
SCHEMBL1672246 0.86 GAA (0.36) GAAMEN1KMT2ASMN1; SMN2HTR3A
SCHEMBL1673275 0.85 GAA (0.32) GAAMEN1KMT2ASMN1; SMN2HTR3A
SCHEMBL4322855 0.83 HTR3A (0.43) GAAHTR3A
SCHEMBL4311857 0.83 HTR3A (0.43) GAAHTR3A
SCHEMBL4311862 0.83 HTR3A (0.43) GAAHTR3A
SCHEMBL699992 0.83 HTR3A (0.42) GAAHTR3A
SCHEMBL1672707 0.83 MEN1 (0.47) GAAMEN1KMT2ASMN1; SMN2CHRNA7

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-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed