SCHEMBL8912103

SCHEMBL8912103

CCOC(=O)C1CC2CCCC(C1)N2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
KMT2A Q03164 1/20 0.56
USP2 O75604 1/20 0.56
OPRK1 P41145 4/20 0.55
LMNA P02545 1/20 0.55
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7744542 0.95 ALDH1A1 (0.53) L3MBTL1KMT2AUSP2OPRK1ATM
Hydrochloric Acid SCHEMBL30028803 0.94 ALDH1A1 (0.52) L3MBTL1KMT2AUSP2OPRK1ATM
SCHEMBL30029574 0.92 OPRK1 (0.49) L3MBTL1KMT2AUSP2OPRK1LMNA
SCHEMBL915985 0.86 ALDH1A1 (0.50) L3MBTL1KMT2AATMALDH1A1PKM
SCHEMBL8914329 0.86 ALDH1A1 (0.47) L3MBTL1KMT2AUSP2OPRK1ATM
SCHEMBL4524255 0.81 SLC6A4 (0.57) L3MBTL1KMT2AUSP2OPRK1LMNA
SCHEMBL17595311 0.81 KMT2A (0.50) L3MBTL1KMT2AUSP2OPRK1LMNA
Hydrochloric Acid SCHEMBL30028945 0.81 LMNA (0.62) L3MBTL1KMT2AUSP2OPRK1LMNA
SCHEMBL30029015 0.79 ALDH1A1 (0.42) L3MBTL1KMT2AUSP2OPRK1ATM
SCHEMBL15934617 0.79 OPRK1 (0.48) OPRK1ALDH1A1PKMNPSR1

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
WO-2022175402-A1 QUINUCLIDINE-3-ONE DERIVATIVES APREA THERAPEUTICS AB (SE) 2022-08-25 WO disclosed
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
EP-0540526-A1 QUINUCLIDINE DERIVATIVES. PFIZER (US) 1993-05-12 EP disclosed
WO-1992001688-A1 QUINUCLIDINE DERIVATIVES PFIZER INC. (US) 1992-02-06 WO disclosed