SCHEMBL14348147

SCHEMBL14348147

CCNC(=O)[C@@H]([C@H](CCC1CC1)C(N)=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
METAP2 P50579 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
ACACB O00763 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
REN P00797 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
SCHEMBL8426448 1.00 TDP1 (0.32) TDP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8426470 0.94 METAP2 (0.37) METAP2ALDH1A1MAPK1
SCHEMBL14347971 0.94 METAP2 (0.37) METAP2ALDH1A1MAPK1
SCHEMBL14117619 0.84 CPB2 (0.33) METAP2
SCHEMBL14123203 0.84 CPB2 (0.33) METAP2
SCHEMBL8244405 0.84 CPB2 (0.33) METAP2
SCHEMBL8427641 0.83 CA1 (0.34) CA1CA2
SCHEMBL14347678 0.83 CA1 (0.34) CA1CA2
SCHEMBL8427644 0.83 METAP2 (0.33) TDP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13913751 0.83 METAP2 (0.33) TDP1CYP1A2CYP2D6CYP2C9CYP2C19

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
US-7304056-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed