SCHEMBL7209262

SCHEMBL7209262

COC(=O)n1cc2ccccc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
TACR3 P29371 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PRNP P04156 1/20 0.37
BCHE P06276 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
TSHR P16473 3/20 0.36
PDE5A O76074 1/20 0.36
ABCC1 P33527 1/20 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
SCHEMBL20568595 0.74 BCHE (0.40) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL20569871 0.71 BCHE (0.39) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL22536926 0.69 BRD4 (0.44) KMT2ASMN1; SMN2HTTMAPTKDM4E
SCHEMBL1127344 0.68 MEN1 (0.42) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL28323036 0.66 P2RX4 (0.44) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3640203 0.66 KMT2A (0.38) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3080622 0.66 MEN1 (0.39) KMT2AMEN1HTTMAPTTACR3
SCHEMBL8076273 0.66 KMT2A (0.67) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL10842060 0.66 KMT2A (0.67) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL8076272 0.66 KMT2A (0.67) KMT2AMEN1SMN1; SMN2MAPTKDM4E

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-0801067-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6174896-B1 MUSCARINIC RECEPTOR ANTAGONISTIC ACTIVITY; FOR THERAPY AND PROPHYLAXIS FOR UROLOGIC DISEASES, RESPIRATORY DISEASES OR DIGESTIVE DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-16 US disclosed
US-6017927-A Quinuclidine derivatives and medicinal composition thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0801067-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-15 EP disclosed