SCHEMBL3636436

SCHEMBL3636436

COc1ccc2nccc(NC3CNC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.56
ADRA1D P25100 3/20 0.56
ADRA1A P35348 3/20 0.56
ADRA1B P35368 3/20 0.56
RIPK2 O43353 2/20 0.52
GAK O14976 2/20 0.52
COQ8A Q8NI60 1/20 0.52
NLK Q9UBE8 1/20 0.52
MCHR1 Q99705 1/20 0.52
KDR P35968 1/20 0.50
NCF1 P14598 1/20 0.50
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
FERMT2 Q96AC1 1/20 0.42

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
SCHEMBL3631574 0.90 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BRIPK2
SCHEMBL29862969 0.90 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BRIPK2
SCHEMBL3631572 0.90 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BRIPK2
Hydrochloric Acid SCHEMBL23360528 0.89 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BRIPK2
Hydrochloric Acid SCHEMBL23360525 0.89 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BRIPK2
SCHEMBL4752616 0.82 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BRIPK2
SCHEMBL3634020 0.81 MTNR1B (0.47) LMNAKDM4EMTNR1AMTNR1BMAPK1
SCHEMBL3630852 0.81 NQO2 (0.61) MAPK1
SCHEMBL29862805 0.80 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BRIPK2
Hydrochloric Acid SCHEMBL23360615 0.79 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BRIPK2

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
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed