SCHEMBL6955893

SCHEMBL6955893

Cc1cccc2c1NC(=O)C(N(C=O)C1(C(=O)NCCC(C)C)CCCC1)N=C2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.47
PSEN2 P49810 6/20 0.47
APH1B Q8WW43 6/20 0.47
NCSTN Q92542 6/20 0.47
APH1A Q96BI3 6/20 0.47
PSENEN Q9NZ42 6/20 0.47
NOTCH1 P46531 12/20 0.41
NOTCH3 Q9UM47 8/20 0.41
RBPJ Q06330 4/20 0.40
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 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
SCHEMBL3593240 0.82 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6986032 0.80 NOTCH1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6799982 0.77 KMT2A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6955221 0.70 NOTCH1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13502677 0.66 PSEN1 (0.97) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6950859 0.64 NOTCH1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7008743 0.62 CCKAR (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL951759 0.61 ALDH1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6805380 0.61 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16777947 0.61 NOTCH1 (0.49) NOTCH1NOTCH3RBPJCCKARCCKBR

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