SCHEMBL6950859

SCHEMBL6950859

Cc1cccc2c1NC(=O)C(NC(=O)C1(NC(=O)[C@H](O)Cc3ncc[nH]3)CCCC1)N=C2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 14/20 0.46
NOTCH3 Q9UM47 9/20 0.46
RBPJ Q06330 5/20 0.46
PSEN1 P49768 5/20 0.40
PSEN2 P49810 5/20 0.40
APH1B Q8WW43 5/20 0.40
NCSTN Q92542 5/20 0.40
APH1A Q96BI3 5/20 0.40
PSENEN Q9NZ42 5/20 0.40
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40

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
SCHEMBL6955221 0.88 NOTCH1 (0.49) NOTCH1NOTCH3RBPJPSEN1PSEN2
SCHEMBL3583364 0.84 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13502676 0.72 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3580511 0.72 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3589688 0.70 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3591572 0.67 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3588398 0.66 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3587676 0.66 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3587982 0.65 PSEN1 (0.70) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL6948348 0.65 NOTCH1 (0.40) NOTCH1NOTCH3RBPJ

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-1268433-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA-PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074783-A1 CYCLIC LACTAMS AS INHIBITORS OF A ΒΕΤΑ PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO disclosed