SCHEMBL1718097

SCHEMBL1718097

NC1CCc2c(Br)cccc2CC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 3/20 0.66
ERAP2 Q6P179 3/20 0.66
ERAP1 Q9NZ08 3/20 0.66
ANPEP P15144 6/20 0.60

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 SCHEMBL3226375 0.98 IL1RN (0.64) IL1RNERAP2ERAP1ANPEP
SCHEMBL1718547 0.75 ANPEP (1.00) IL1RNERAP2ERAP1ANPEP
Hydrochloric Acid SCHEMBL3230097 0.74 ANPEP (1.00) IL1RNERAP2ERAP1ANPEP
SCHEMBL1717352 0.73 ANPEP (0.50) IL1RNERAP2ERAP1ANPEP
SCHEMBL8200010 0.72 ANPEP (0.64) IL1RNERAP2ERAP1ANPEP
Hydrochloric Acid SCHEMBL3262548 0.72 ANPEP (0.51) IL1RNERAP2ERAP1ANPEP
SCHEMBL1662187 0.72 CYP2A6 (0.52) IL1RNERAP2ERAP1
SCHEMBL29385577 0.72 CYP2A6 (0.52) IL1RNERAP2ERAP1
SCHEMBL12402720 0.72 IL1RN (0.49) IL1RNERAP2ERAP1ANPEP
SCHEMBL1879560 0.72 IL1RN (0.49) IL1RNERAP2ERAP1ANPEP

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 1 patent. 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