SCHEMBL7427846

SCHEMBL7427846

CC(C)CN1CC[C@@H]2CCC=CC2=C(NC(=O)[C@H](C)N)C1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
XIAP P98170 1/20 0.30
BIRC2 Q13490 1/20 0.30

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 SCHEMBL7429831 0.99 PIK3CD (0.33) PIK3CDXIAPBIRC2
Hydrochloric Acid SCHEMBL6309974 0.99 PIK3CD (0.33) PIK3CDXIAPBIRC2
SCHEMBL6302202 0.87 XIAP (0.30) XIAP
SCHEMBL7430934 0.87 XIAP (0.30) XIAP
SCHEMBL6364988 0.84 XIAP (0.33) XIAPBIRC2
Hydrochloric Acid SCHEMBL7424704 0.84 XIAP (0.33) XIAPBIRC2
Hydrochloric Acid SCHEMBL6305086 0.84 XIAP (0.33) XIAPBIRC2
SCHEMBL6309258 0.78 PIK3CD (0.40) PIK3CD
SCHEMBL7537691 0.78 PIK3CD (0.40) PIK3CD
SCHEMBL7425403 0.73 XIAP (0.33) XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed