SCHEMBL8417820

SCHEMBL8417820

B.N#CCc1ccc(OCC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.37
MMP13 P45452 14/20 0.37
MMP2 P08253 4/20 0.36
GPR119 Q8TDV5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL8418615 0.97 FDFT1 (0.37) FDFT1MMP13MMP2GPR119
SCHEMBL8968385 0.88 MMP13 (0.39) FDFT1MMP13MMP2
SCHEMBL8772717 0.87 SIGMAR1 (0.43) MMP13
SCHEMBL8969873 0.86 MMP13 (0.40) FDFT1MMP13MMP2
Hydrochloric Acid SCHEMBL8772629 0.84 SIGMAR1 (0.43) MMP13
SCHEMBL27458909 0.83 MMP13 (0.38) FDFT1MMP13MMP2
SCHEMBL8969019 0.81 LTA4H (0.42) FDFT1MMP13MMP2
Hydrochloric Acid SCHEMBL8968667 0.79 LTA4H (0.42) FDFT1MMP13MMP2
SCHEMBL8968633 0.78 CHRM2 (0.39) FDFT1MMP13MMP2
SCHEMBL8706049 0.77 MMP13 (0.36) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed