SCHEMBL19723979

SCHEMBL19723979

NCCCCNC(C=O)Cc1cnc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.49
HRH4 Q9H3N8 10/20 0.49
CPB2 Q96IY4 1/20 0.48
HRH1 P35367 8/20 0.48
HRH2 P25021 3/20 0.48
SLC15A2 Q16348 1/20 0.46
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
LMNA P02545 1/20 0.41
MIF P14174 1/20 0.41
TSHR P16473 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
SCHEMBL11117873 0.79 HRH3 (0.47) HRH3HRH4MEN1ALDH1A1GLA
SCHEMBL17119231 0.79 HRH3 (0.47) HRH3HRH4MEN1ALDH1A1GLA
SCHEMBL14213359 0.78 HRH4 (0.50) HRH3HRH4CPB2HRH1HRH2
SCHEMBL13416963 0.78 TBXAS1 (0.46) LMNATSHR
SCHEMBL12735917 0.76 HRH4 (0.47) HRH3HRH4CPB2HRH1HRH2
SCHEMBL17119227 0.75 HRH3 (0.50) HRH3HRH4CPB2MEN1ALDH1A1
SCHEMBL9751643 0.75 HRH3 (0.50) HRH3HRH4CPB2MEN1ALDH1A1
SCHEMBL29312929 0.75 HRH4 (0.46) HRH3HRH4CPB2HRH1HRH2
SCHEMBL19724232 0.74 TBXAS1 (0.48) LMNATSHR
SCHEMBL15412861 0.73 CPB2 (0.61) HRH3HRH4CPB2SLC15A2ALDH1A1

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
EP-2340261-B1 AMYLIN DERIVATIVES NOVO NORDISK AS (DK) 2017-12-20 EP disclosed