SCHEMBL1718364

SCHEMBL1718364

NC1CCc2cccc(-c3ccccc3)c2CC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 1.00
IL1RN P18510 1/20 1.00
ERAP2 Q6P179 1/20 1.00
ERAP1 Q9NZ08 1/20 1.00
LAP3 P28838 2/20 0.70

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
Hydrochloric Acid SCHEMBL3224618 0.99 ANPEP (1.00) ANPEPIL1RNERAP2ERAP1LAP3
SCHEMBL1718547 0.76 ANPEP (1.00) ANPEPIL1RNERAP2ERAP1
Hydrochloric Acid SCHEMBL3230097 0.74 ANPEP (1.00) ANPEPIL1RNERAP2ERAP1
SCHEMBL8191935 0.72 ANPEP (0.73) ANPEPIL1RNERAP2ERAP1
SCHEMBL18471212 0.71 ANPEP (0.55) ANPEPIL1RNERAP2ERAP1
SCHEMBL9463233 0.71 PRCP (0.53) ANPEPIL1RNERAP2ERAP1
SCHEMBL1717979 0.71 ANPEP (0.54) ANPEPIL1RNERAP2ERAP1
SCHEMBL11105206 0.71 ANPEP (0.54) ANPEPIL1RNERAP2ERAP1
SCHEMBL5346333 0.69 PRCP (0.61) ANPEPIL1RNERAP2ERAP1
SCHEMBL30698218 0.69 PRCP (0.61) ANPEPIL1RNERAP2ERAP1

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