SCHEMBL8931446

SCHEMBL8931446

OC1(C#Cc2ccc(-c3ccccc3)cc2)CN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.61
MMP2 P08253 2/20 0.56
FDFT1 P37268 1/20 0.55

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
SCHEMBL3259548 0.91 MMP13 (0.63) MMP13MMP2FDFT1
SCHEMBL8709394 0.89 MMP13 (0.58) MMP13MMP2FDFT1
SCHEMBL8931458 0.88 MMP13 (0.59) MMP13MMP2FDFT1
SCHEMBL8593465 0.84 MMP13 (0.57) MMP13MMP2FDFT1
SCHEMBL8968959 0.83 MMP13 (0.65) MMP13MMP2FDFT1
SCHEMBL8772621 0.83 MMP13 (0.60) MMP13MMP2FDFT1
SCHEMBL8931430 0.82 MMP13 (0.66) MMP13MMP2FDFT1
SCHEMBL8772700 0.82 MMP13 (0.86) MMP13MMP2FDFT1
SCHEMBL8592665 0.78 MMP13 (0.53) MMP13MMP2FDFT1
SCHEMBL8593082 0.78 MMP13 (0.50) MMP13MMP2FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654315-A ENZYME INHIBITORS AS ANTICHOLESTEROL AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-08-05 US claimed
EP-0626960-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-12-07 EP claimed
WO-1993013096-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-08 WO claimed
US-5654315-A ENZYME INHIBITORS AS ANTICHOLESTEROL AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-08-05 US disclosed
EP-0626960-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-12-07 EP disclosed
WO-1993013096-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-08 WO disclosed