SCHEMBL27567945

SCHEMBL27567945

CCCCC(O)C(CC1CC1)C(=O)C1N=C(c2nccs2)c2ccccc2N(C)C1N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 1/20 0.32
RBPJ Q06330 1/20 0.32
CTSK P43235 1/20 0.32
ACKR3 P25106 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
ADAM17 P78536 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL27567902 0.85 CCKBR (0.39)
SCHEMBL27567893 0.84 CCKBR (0.32) NOTCH1RBPJHCRTR1HCRTR2
SCHEMBL27567874 0.83 NOTCH1 (0.39) NOTCH1RBPJ
SCHEMBL27567906 0.83 KCNH2 (0.41) NOTCH1RBPJ
SCHEMBL28750573 0.81 NOTCH1 (0.30) NOTCH1RBPJCTSK
SCHEMBL27587086 0.81 NOTCH1 (0.36) NOTCH1RBPJCTSKTDP1
SCHEMBL28747945 0.80 OXTR (0.34)
SCHEMBL27570557 0.80 OXTR (0.35)
SCHEMBL27587200 0.80 REN (0.32)
SCHEMBL4182463 0.79 NOTCH1 (0.51) NOTCH1RBPJ

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 1 patent. 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 disclosed