SCHEMBL1718448

SCHEMBL1718448

NC1CCc2ccccc2/C(=C\c2ccccc2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MIF P14174 2/20 0.46
MAPT P10636 2/20 0.46
ANPEP P15144 5/20 0.45
IL1RN P18510 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
MAOA P21397 1/20 0.42
HPGD P15428 3/20 0.39
CYP19A1 P11511 2/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1718449 1.00 MAOB (0.48) MAOBMIFMAPTANPEPIL1RN
Hydrochloric Acid SCHEMBL3229892 0.99 MAOB (0.47) MAOBMIFMAPTANPEPIL1RN
Hydrochloric Acid SCHEMBL3229886 0.99 MAOB (0.47) MAOBMIFMAPTANPEPIL1RN
SCHEMBL2384933 0.79 ANPEP (0.56) MAPTANPEPIL1RNERAP2ERAP1
SCHEMBL11865381 0.79 ANPEP (0.56) MAPTANPEPIL1RNERAP2ERAP1
SCHEMBL30539234 0.79 ANPEP (0.56) MAPTANPEPIL1RNERAP2ERAP1
Hydrochloric Acid SCHEMBL697026 0.77 ANPEP (0.58) ANPEPIL1RNERAP2ERAP1CYP19A1
SCHEMBL17829213 0.74 MAOB (0.60) MAOBMIFMAPTMAOAHPGD
SCHEMBL28845442 0.68 CYP1A2 (0.46) MAOBMIFMAPTANPEPHPGD
SCHEMBL21085601 0.67 CES1 (0.52) ANPEPIL1RNERAP2ERAP1MAOA

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-2084125-B1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIV HAUTE ALSACE (FR) 2012-01-11 EP disclosed
EP-2084125-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY Universite De Haute Alsace (FR) 2009-08-05 EP disclosed
WO-2008059141-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIVERSITE DE HAUTE ALSACE (FR) 2008-05-22 WO disclosed