SCHEMBL6048077

SCHEMBL6048077

CO[C@H]1C(=O)N(c2ccc(C#C[C@@]3(O)CN4CCC3CC4)c(Cc3ccccc3)c2)C[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.54
MMP13 P45452 10/20 0.40
MMP2 P08253 6/20 0.40

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
SCHEMBL5226981 0.92 FDFT1 (0.54) FDFT1MMP13MMP2
SCHEMBL6377795 0.83 FDFT1 (0.72) FDFT1MMP13MMP2
SCHEMBL5225139 0.83 FDFT1 (0.47) FDFT1MMP13MMP2
SCHEMBL5224927 0.83 FDFT1 (0.71) FDFT1MMP13MMP2
SCHEMBL5224243 0.83 FDFT1 (0.71) FDFT1MMP13MMP2
SCHEMBL5224253 0.83 FDFT1 (0.71) FDFT1MMP13MMP2
SCHEMBL5224937 0.83 FDFT1 (0.71) FDFT1MMP13MMP2
SCHEMBL5224246 0.83 FDFT1 (0.71) FDFT1MMP13MMP2
SCHEMBL5225732 0.82 FDFT1 (0.63) FDFT1MMP13MMP2
SCHEMBL5231757 0.82 FDFT1 (0.58) FDFT1MMP13MMP2

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
US-7112593-B2 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI CO., LTD. (JP) 2006-09-26 US claimed
US-7112593-B2 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI CO., LTD. (JP) 2006-09-26 US disclosed