SCHEMBL1121

SCHEMBL1121

Cn1c2c(c3ccccc31)/C(=N/O)CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 2/20 0.59
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
MAOA P21397 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.43
GPR3 P46089 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
CCNB2 O95067 1/20 0.39

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
SCHEMBL1122 1.00 ALOX15 (0.59) ALOX15MAPK1MAPTHTR2AHTR2C
SCHEMBL839 0.91 MAPK1 (0.52) ALOX15MAPK1MAPTHTR2AHTR2C
SCHEMBL838 0.91 MAPK1 (0.52) ALOX15MAPK1MAPTHTR2AHTR2C
SCHEMBL12857671 0.76 MAOA (0.51) ALOX15MAPK1MAPTHTR2AHTR2C
SCHEMBL984 0.75 HTR2A (0.54) ALOX15MAPK1HTR2AHTR2CKDM4E
SCHEMBL8792311 0.74 ALOX15 (1.00) ALOX15MAPK1MAPTHTR2AHTR2C
SCHEMBL8792316 0.74 ALOX15 (1.00) ALOX15MAPK1MAPTHTR2AHTR2C
SCHEMBL19159482 0.72 HTR2A (0.47) ALOX15MAPK1HTR2AHTR2CKDM4E
SCHEMBL1004842 0.71 MAPT (0.45) ALOX15MAPK1MAPTKDM4EHSD17B10
SCHEMBL1004843 0.71 MAPT (0.45) ALOX15MAPK1MAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
US-4985422-A TRICYCLIC, IMIDAZOLE SUBSTITUTED, ANTAGONIST OF HYDROXYTRYPTAMINE RECEPTORS, PSYCHOTIC DISORDERS, SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 1991-01-15 US disclosed
EP-0339959-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-11-02 EP disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP disclosed