SCHEMBL8772657

SCHEMBL8772657

CC(=O)Nc1ccc(C#CC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.62
MMP2 P08253 6/20 0.60
FDFT1 P37268 1/20 0.58
MMP12 P39900 1/20 0.54

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
SCHEMBL8772744 0.85 MMP13 (0.56) MMP13MMP2FDFT1MMP12
SCHEMBL8772700 0.80 MMP13 (0.86) MMP13MMP2FDFT1MMP12
SCHEMBL8772597 0.80 MMP13 (0.58) MMP13MMP2FDFT1MMP12
SCHEMBL8772621 0.78 MMP13 (0.60) MMP13MMP2FDFT1MMP12
SCHEMBL8709394 0.76 MMP13 (0.58) MMP13MMP2FDFT1MMP12
SCHEMBL8772636 0.75 MMP13 (0.90) MMP13MMP2FDFT1MMP12
SCHEMBL8931458 0.74 MMP13 (0.59) MMP13MMP2FDFT1MMP12
SCHEMBL8772585 0.73 KMT2A (0.49)
SCHEMBL8772607 0.73 MMP13 (0.64) MMP13MMP2FDFT1MMP12
SCHEMBL9432198 0.73 FDFT1 (0.76) MMP13MMP2FDFT1MMP12

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-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed