SCHEMBL21780451

SCHEMBL21780451

CNCc1ncccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR7 P34969 4/20 0.42
PLAU P00749 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL8231845 0.84 GRM5 (0.47) ADORA2ASLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL506497 0.79 ALDH1A1 (0.55) ADORA2APLAUPDGFRBPDGFRAL3MBTL1
SCHEMBL8371346 0.79 PLAU (0.44) ADORA2APLAUPDGFRBPDGFRAL3MBTL1
SCHEMBL22957763 0.77 RIPK1 (0.43)
SCHEMBL29636120 0.77 PLAU (0.43) ADORA2AMAOAMAOBPLAUPDGFRB
SCHEMBL10375020 0.77 PLAU (0.43) ADORA2AMAOAMAOBPLAUPDGFRB
Hydrochloric Acid SCHEMBL11095592 0.77 ALDH1A1 (0.53) ADORA2APLAUPDGFRBPDGFRAL3MBTL1
SCHEMBL4475474 0.77 PLAU (0.47) ADORA2APLAUPDGFRBPDGFRAL3MBTL1
SCHEMBL507177 0.77 PLAU (0.43) ADORA2AMAOAMAOBPLAUPDGFRB
SCHEMBL8497269 0.77 PLAU (0.43) ADORA2APLAUPDGFRBPDGFRAKDM4E

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-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed