SCHEMBL8772585

SCHEMBL8772585

CC(=O)Nc1ccc(OCC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 1/20 0.42
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8772594 0.78 FDFT1 (0.39) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL8772595 0.77 FDFT1 (0.38) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL9622953 0.77 EPHX2 (0.45) ALDH1A1SMN1; SMN2HTT
SCHEMBL8772657 0.73 MMP13 (0.62)
Hydrochloric Acid SCHEMBL8418615 0.72 FDFT1 (0.37) KMT2A
Hydrochloric Acid SCHEMBL8968667 0.72 LTA4H (0.42) KMT2A
SCHEMBL8969436 0.71 MMP13 (0.38) LMNATDP1MAPTGAAHTT
Hydrochloric Acid SCHEMBL9469207 0.69 LSS (0.57) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL11111056 0.69 ALDH1A1 (0.80) KMT2AMEN1LMNACYP1A2TDP1
Hydrochloric Acid SCHEMBL8591661 0.68 CHRM2 (0.48)

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-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
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