SCHEMBL19791983

SCHEMBL19791983

CCc1cnc(NC)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10310085 0.79 NOS3 (0.38) NOS3NOS1NOS2RAPGEF4HRH2
SCHEMBL20669920 0.78 GRM4 (0.37) USP7ALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL91486 0.76 PTGS2 (0.46) CYP1A2CYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL9128305 0.75 NOS3 (0.35) NOS3NOS1NOS2RAPGEF4PARP1
SCHEMBL13199572 0.74 NOS3 (0.48) NOS3NOS1NOS2CYP1A2CYP3A4
SCHEMBL3580016 0.73 KDM4E (0.49) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL24588385 0.73 PTGS2 (0.38) USP7PARP1KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL28718520 0.72 NOS3 (0.46) NOS3NOS1NOS2CYP1A2CYP3A4
SCHEMBL25759811 0.72 NOS3 (0.36) NOS3NOS1NOS2RAPGEF4PARP1
SCHEMBL28777938 0.72 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDHSD17B10

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-3272749-A1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma Aktiengesellschaft (DE) 2018-01-24 EP disclosed