SCHEMBL6986032

SCHEMBL6986032

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 13/20 0.39
NOTCH3 Q9UM47 9/20 0.39
RBPJ Q06330 4/20 0.39
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL6955893 0.80 PSEN1 (0.47) NOTCH1NOTCH3RBPJCCKARCCKBR
SCHEMBL6799982 0.80 KMT2A (0.41) NOTCH1NOTCH3RBPJCCKARCCKBR
SCHEMBL3600092 0.78 PSEN1 (0.50) CCKARCCKBRPSEN1PSEN2APH1B
SCHEMBL15622249 0.67 NOTCH1 (0.58) NOTCH1NOTCH3RBPJ
SCHEMBL15631538 0.67 NOTCH1 (0.58) NOTCH1NOTCH3RBPJ
SCHEMBL6955221 0.65 NOTCH1 (0.49) NOTCH1NOTCH3RBPJCCKARCCKBR
SCHEMBL15608401 0.65 NOTCH1 (0.53) NOTCH1NOTCH3RBPJCCKARCCKBR
SCHEMBL9865175 0.63 NOTCH1 (0.50) NOTCH1NOTCH3RBPJCCKBR
SCHEMBL9865168 0.63 NOTCH1 (0.50) NOTCH1NOTCH3RBPJCCKBR
SCHEMBL9865173 0.63 NOTCH1 (0.50) NOTCH1NOTCH3RBPJCCKBR

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