SCHEMBL6949634

SCHEMBL6949634

Cc1cccc2c1NC(=O)C(NC(=O)C1(NC(=O)CCC(C)C)CCCC1)N=C2C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 14/20 0.39
RBPJ Q06330 5/20 0.39
NOTCH3 Q9UM47 9/20 0.38
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CCKBR P32239 3/20 0.34

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
SCHEMBL6952065 0.88 CCKBR (0.34) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6948348 0.87 NOTCH1 (0.40) NOTCH1RBPJNOTCH3KMT2A
SCHEMBL3581234 0.79 CCKBR (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6985672 0.77 NOTCH1 (0.38) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL13502693 0.76 CCKBR (0.42) NOTCH1RBPJNOTCH3CCKBR
SCHEMBL3582955 0.76 BDKRB1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6954233 0.75 NOTCH1 (0.35) NOTCH1RBPJNOTCH3CCKBR
SCHEMBL6948349 0.74 CCKBR (0.39) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL7552393 0.72 NAAA (0.44) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL7552400 0.72 NAAA (0.44) 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 4 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 claimed
WO-2001074783-A1 CYCLIC LACTAMS AS INHIBITORS OF A ΒΕΤΑ PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO claimed
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