SCHEMBL6380697

SCHEMBL6380697

CO[C@@H]1CN(c2cc(Cc3ccccc3)c(C#C[C@@]3(O)CN4CCC3CC4)cn2)C[C@H]1OC

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.68
MMP13 P45452 9/20 0.40
MMP2 P08253 5/20 0.40
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL6381782 0.96 FDFT1 (0.74) FDFT1MMP13MMP2CHRM2CHRM3
SCHEMBL6382904 0.86 FDFT1 (0.53) FDFT1MMP13MMP2
SCHEMBL5225732 0.85 FDFT1 (0.63) FDFT1MMP13MMP2CHRM2CHRM3
SCHEMBL6379076 0.85 FDFT1 (0.51) FDFT1MMP13MMP2
SCHEMBL6377358 0.85 FDFT1 (0.51) FDFT1MMP13MMP2
SCHEMBL6377333 0.84 FDFT1 (0.92) FDFT1MMP13MMP2CHRM2CHRM3
SCHEMBL6377329 0.84 FDFT1 (0.92) FDFT1MMP13MMP2CHRM2CHRM3
SCHEMBL6375468 0.84 FDFT1 (0.92) FDFT1MMP13MMP2CHRM2CHRM3
SCHEMBL5224937 0.82 FDFT1 (0.71) FDFT1MMP13MMP2CHRM2CHRM3
SCHEMBL5224246 0.82 FDFT1 (0.71) FDFT1MMP13MMP2CHRM2CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed