SCHEMBL6952065

SCHEMBL6952065

CCCCc1cccc2c1NC(=O)C(NC(=O)C1(NC(=O)CCC(C)C)CCCC1)N=C2C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.34
CCKAR P32238 2/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
NOTCH1 P46531 4/20 0.32
NOTCH3 Q9UM47 4/20 0.32
OXTR P30559 1/20 0.32
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
DGAT1 O75907 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6954233 0.88 NOTCH1 (0.35) CCKBRCCKARNOTCH1NOTCH3DGAT1
SCHEMBL6949634 0.88 NOTCH1 (0.39) CCKBRALDH1A1KMT2APSEN1PSEN2
SCHEMBL3582955 0.78 BDKRB1 (0.47) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL6948348 0.75 NOTCH1 (0.40) KMT2ANOTCH1NOTCH3
SCHEMBL13502693 0.72 CCKBR (0.42) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL6954236 0.71 CCKAR (0.38) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL6948349 0.71 CCKBR (0.39) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL3594079 0.68 PSEN1 (0.40) CCKBRALDH1A1KMT2APSEN1PSEN2
SCHEMBL3596462 0.68 XIAP (0.37) CCKARPSEN1PSEN2APH1BNCSTN
SCHEMBL6985672 0.66 NOTCH1 (0.38) CCKBRPSEN1PSEN2APH1BNCSTN

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