SCHEMBL1672707

SCHEMBL1672707

Cc1ccc2c(c(CNC3CN4CCC3CC4)nn2-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTMT1 Q9BV86 1/20 0.36
TP53 P04637 2/20 0.35
CHRNA7 P36544 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SMO Q99835 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL1673270 0.84 GAA (0.38) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL1672736 0.84 MEN1 (0.49) MEN1KMT2AGAASMN1; SMN2CHRM2
SCHEMBL1672735 0.84 MEN1 (0.49) MEN1KMT2AGAASMN1; SMN2CHRM2
SCHEMBL4313992 0.84 MEN1 (0.49) MEN1KMT2AGAASMN1; SMN2CHRM2
SCHEMBL700122 0.83 MEN1 (0.48) MEN1KMT2AGAASMN1; SMN2CHRM2
SCHEMBL1672241 0.83 GAA (0.37) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL1672246 0.82 GAA (0.36) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL1672396 0.80 GAA (0.35) MEN1KMT2AGAASMN1; SMN2CHRNA7
SCHEMBL702594 0.80 MEN1 (0.47) MEN1KMT2A
SCHEMBL702595 0.80 MEN1 (0.47) MEN1KMT2A

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