SCHEMBL7380785

SCHEMBL7380785

CC(C)(CNC(=O)n1ccnc1)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.40
FLT3 P36888 1/20 0.38
MAP2K1 Q02750 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
AKR1C3 P42330 1/20 0.37
HTR2C P28335 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
IDO1 P14902 2/20 0.36
HRH4 Q9H3N8 2/20 0.36

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
SCHEMBL6396188 0.76 FLT3 (0.54) FLT3MAP2K1DRD2DRD3KDM4E
SCHEMBL1934934 0.69 L3MBTL1 (0.39) ALDH1A1
SCHEMBL771326 0.67 KDR (0.43) KDM4EALDH1A1GAAIDO1HRH4
SCHEMBL6808774 0.67 KMT2A (0.41) AHRALDH1A1
SCHEMBL9688648 0.66 HRH4 (0.49) FLT3MAP2K1KDM4EALDH1A1HTR2C
SCHEMBL13394197 0.66 L3MBTL1 (0.41) ALDH1A1
SCHEMBL17242701 0.65 LMNA (0.57) KDM4EALDH1A1GAAMAPK1
SCHEMBL31593956 0.65 PIK3CD (0.36)
SCHEMBL21039172 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL12045263 0.65 KDM4E (0.46) AHRFLT3DRD2DRD3KDM4E

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
EP-0420086-B1 Pyrimidoindole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-12-13 EP disclosed
US-5256780-A Serotonin antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
US-5180728-A Antagonists of 5-hydroxytryptamine FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1993-01-19 US disclosed
EP-0420086-A2 Pyrimidoindole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-04-03 EP disclosed