SCHEMBL6985672

SCHEMBL6985672

Cc1cccc2c1NC(=O)C(NC(=O)C1(CNC(=O)[C@@H](O)C(C)C)CCCC1)N=C2C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 14/20 0.38
RBPJ Q06330 5/20 0.38
NOTCH3 Q9UM47 9/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
CCKBR P32239 4/20 0.33

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
SCHEMBL6799024 0.80 CCKBR (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6949634 0.77 NOTCH1 (0.39) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL7552400 0.71 NAAA (0.44) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL7552393 0.71 NAAA (0.44) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL7544911 0.68 BRD4 (0.42) NOTCH1RBPJNOTCH3CCKBR
SCHEMBL7544905 0.68 BRD4 (0.42) NOTCH1RBPJNOTCH3CCKBR
SCHEMBL6952065 0.66 CCKBR (0.34) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6799028 0.66 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6948348 0.65 NOTCH1 (0.40) NOTCH1RBPJNOTCH3
SCHEMBL6955221 0.64 NOTCH1 (0.49) NOTCH1RBPJNOTCH3PSEN1PSEN2

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-1268434-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074784-A1 CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO disclosed