SCHEMBL6556243

SCHEMBL6556243

COc1cccc2c1C(=O)C[C@@H]1CCN(C)C[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.47
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
ADRA1B P35368 2/20 0.38
HTR1A P08908 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
HTR1D P28221 2/20 0.38
SLC6A2 P23975 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
SCHEMBL6556247 1.00 POLL (0.47) POLLMAPTKDM4EALDH1A1HPGD
SCHEMBL6556367 1.00 POLL (0.47) POLLMAPTKDM4EALDH1A1HPGD
SCHEMBL6556368 1.00 POLL (0.47) POLLMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6557747 0.99 POLL (0.46) POLLMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6556544 0.99 POLL (0.46) POLLMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6557739 0.99 POLL (0.46) POLLMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6557744 0.99 POLL (0.46) POLLMAPTKDM4EALDH1A1HPGD
SCHEMBL6556519 0.83 MAPT (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6556524 0.83 MAPT (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6556342 0.82 CDK4 (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958285-B1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES HOFFMANN LA ROCHE (CH) 2004-01-07 EP claimed
EP-0958285-B1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES HOFFMANN LA ROCHE (CH) 2004-01-07 EP disclosed
US-6310208-B1 Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed