SCHEMBL27567902

SCHEMBL27567902

CCCCC(O)C(CC1CC1)C(=O)C1N=C(c2ccccc2F)c2ccccc2N(C)C1N

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.39
CCKAR P32238 5/20 0.39
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
OPRM1 P35372 3/20 0.35

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
SCHEMBL27567874 0.90 NOTCH1 (0.39) CCKBROPRD1OPRK1
SCHEMBL27567906 0.86 KCNH2 (0.41)
SCHEMBL27567983 0.85 CCKBR (0.36) CCKBRCCKAR
SCHEMBL27567893 0.85 CCKBR (0.32) CCKBR
SCHEMBL27567945 0.85 NOTCH1 (0.32)
SCHEMBL28747945 0.84 OXTR (0.34) CCKBRCCKAR
SCHEMBL27570557 0.83 OXTR (0.35) CCKBRCCKAR
SCHEMBL27587200 0.83 REN (0.32)
SCHEMBL27587122 0.82 REN (0.34) CCKBR
SCHEMBL27567973 0.80 NOTCH1 (0.42)

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
CN-1399634-A Hydroxyalkanoyl aminolactams and related structure as inhibitors of A beta protein production BRISTOL MYERS SQUIBB PHARMA IN (US) 2003-02-26 CN claimed
CN-1399634-A Hydroxyalkanoyl aminolactams and related structure as inhibitors of A beta protein production BRISTOL MYERS SQUIBB PHARMA IN (US) 2003-02-26 CN disclosed