SCHEMBL6556519

SCHEMBL6556519

Cc1cccc2c1C(=O)C[C@@H]1CCN(C)C[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 3/20 0.39
ACHE P22303 1/20 0.39
CDK4 P11802 8/20 0.38
CCND1 P24385 8/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HRH1 P35367 1/20 0.36
HTR6 P50406 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
SCHEMBL6556524 1.00 MAPT (0.46) MAPTKDM4EMEN1ALDH1A1CYP1A2
Fumaric Acid SCHEMBL6556554 0.91 MAPT (0.40) MAPTKDM4EMEN1ALDH1A1CYP1A2
Fumaric Acid SCHEMBL6556550 0.91 MAPT (0.40) MAPTKDM4EMEN1ALDH1A1CYP1A2
Fumaric Acid SCHEMBL6556555 0.91 MAPT (0.40) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6556329 0.85 MAPT (0.45) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6556342 0.85 CDK4 (0.46) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6557789 0.85 CDK4 (0.46) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6556336 0.85 MAPT (0.45) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6556353 0.85 CDK4 (0.46) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6556418 0.85 MAPT (0.45) MAPTKDM4EMEN1ALDH1A1CYP1A2

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
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
EP-0958285-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998030546-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-16 WO disclosed