SCHEMBL700122

SCHEMBL700122

O=C(O)c1cccc2c1c(CNC1CN3CCC1CC3)nn2-c1ccc(F)cc1.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR1 P32246 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR3 P51677 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL4313992 0.99 MEN1 (0.49) MEN1KMT2ACCR1GAASMN1; SMN2
SCHEMBL1672736 0.99 MEN1 (0.49) MEN1KMT2ACCR1GAASMN1; SMN2
SCHEMBL1672735 0.99 MEN1 (0.49) MEN1KMT2ACCR1GAASMN1; SMN2
Lithium Ion SCHEMBL700121 0.90 MEN1 (0.47) MEN1KMT2ACCR1GAASMN1; SMN2
Lithium Ion SCHEMBL701964 0.90 MEN1 (0.47) MEN1KMT2ACCR1GAASMN1; SMN2
SCHEMBL702595 0.90 MEN1 (0.47) MEN1KMT2ACCR1CCR3
SCHEMBL702594 0.90 MEN1 (0.47) MEN1KMT2ACCR1CCR3
SCHEMBL703073 0.90 MEN1 (0.47) MEN1KMT2ACCR1CCR3
SCHEMBL1672707 0.83 MEN1 (0.47) MEN1KMT2AGAASMN1; SMN2CHRM2
SCHEMBL703142 0.83 CHRM2 (0.41) GAACHRM2CHRM1CHRM3

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
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed