SCHEMBL14213359

SCHEMBL14213359

NN[C@H](C=O)Cc1cnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.50
HRH3 Q9Y5N1 7/20 0.50
ALDH1A1 P00352 3/20 0.50
NFKB1 P19838 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
THPO P40225 1/20 0.50
CYP3A4 P08684 2/20 0.49
SLC7A5 Q01650 1/20 0.49
LMNA P02545 2/20 0.49
APEX1 P27695 2/20 0.49
BLM P54132 1/20 0.49
CPB2 Q96IY4 1/20 0.42
HRH2 P25021 2/20 0.42
TSHR P16473 2/20 0.42
MIF P14174 1/20 0.42
HRH1 P35367 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12735917 0.84 HRH4 (0.47) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL9751643 0.83 HRH3 (0.50) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL29312929 0.83 HRH4 (0.46) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL17119227 0.83 HRH3 (0.50) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL11117873 0.81 HRH3 (0.47) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL16557054 0.78 HRH4 (0.41) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL13550919 0.78 HRH4 (0.45) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL19723979 0.78 HRH3 (0.49) HRH4HRH3ALDH1A1NFKB1MEN1
SCHEMBL14031450 0.78 HRH3 (0.42) HRH4HRH3ALDH1A1NFKB1MEN1
L-Histidinal SCHEMBL12652228 0.77 HRH4 (0.59) HRH4HRH3ALDH1A1NFKB1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329725-B2 Annelated pyrrolidin sulfonamides with oxadiazolone headgroup, processes for their preparation and their use as pharmaceuticals SANOFI (FR) 2012-12-11 US disclosed