SCHEMBL10366227

SCHEMBL10366227

O=C1CC2CCc3ccc(Cl)cc3C2=NN1c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.50
PDCD1 Q15116 5/20 0.50
HTR1A P08908 5/20 0.43
DRD4 P21917 5/20 0.43
HTR2A P28223 5/20 0.43
HTR2C P28335 5/20 0.43
HTR7 P34969 5/20 0.43
DRD3 P35462 4/20 0.43
DRD2 P14416 3/20 0.43
ESD P10768 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 1/20 0.38
AVPR1A P37288 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM7 Q14831 1/20 0.37

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
SCHEMBL7287680 0.84 ALDH1A1 (0.43) HTR1AHTR7DRD3ALDH1A1SMN1; SMN2
SCHEMBL9867723 0.83 CD274 (0.43) CD274PDCD1GRM7
SCHEMBL10367909 0.79 GRM5 (0.36) ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL10365420 0.79 MAPT (0.41) ALDH1A1KDM4EL3MBTL1
SCHEMBL9868353 0.78 SLC11A2 (0.49) CD274PDCD1HTR1AHTR2AHTR2C
SCHEMBL10366230 0.78 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL9601978 0.78 MEN1 (0.35) ALDH1A1
SCHEMBL10368047 0.76 POLB (0.44) HTR1AHTR2AALDH1A1SMN1; SMN2
SCHEMBL10368016 0.76 NR3C2 (0.37) ALDH1A1
SCHEMBL10366098 0.76 ALDH1A1 (0.43) HTR1AHTR2AHTR2CHTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1193222-A None JP disclosed
EP-0190367-B1 BENZO ADH BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-17 EP disclosed
JP-H01193222-A AGENT FOR ENHANCING HOST DEFENSE ABILITY YOSHITOMI PHARMACEUT IND LTD 1989-08-03 JP disclosed
US-4782057-A ANTIDOTES FOR OVERSEDATION, ANXIOLYTICS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
EP-0190367-A1 BENZO ADh BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-08-13 EP disclosed