SCHEMBL8918673

SCHEMBL8918673

CCOC(=O)C1C2CCCC1CN(Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 1/20 0.49
CCR8 P51685 1/20 0.48
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP30 Q70CQ3 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL7322807 0.95 ALDH1A1 (0.56) L3MBTL1ATMALDH1A1KDM4EHSD17B10
SCHEMBL457893 0.87 ALDH1A1 (0.51) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL18517409 0.84 ALDH1A1 (0.55) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL19971674 0.84 ALDH1A1 (0.55) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL8922062 0.84 ALDH1A1 (0.55) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL14037432 0.81 USP30 (0.62) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL13177349 0.81 USP30 (0.62) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL853540 0.81 USP30 (0.62) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL1055082 0.81 USP30 (0.62) L3MBTL1ATMALDH1A1KDM4ECCR8
SCHEMBL1872029 0.81 L3MBTL1 (0.65) L3MBTL1ATMALDH1A1KDM4ECCR8

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-5641786-A Quinuclidine derivatives LOWE III JOHN ADAMS (US) 1997-06-24 US disclosed
US-5422354-A Quinuclidine derivatives PFIZER INC (US) 1995-06-06 US disclosed
EP-0540526-B1 QUINUCLIDINE DERIVATIVES PFIZER (US) 1994-12-28 EP disclosed
WO-1992001688-A1 QUINUCLIDINE DERIVATIVES PFIZER INC. (US) 1992-02-06 WO disclosed