SCHEMBL4743604

SCHEMBL4743604

CN1C2CCC1CC(O)(O)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
SLC6A2 P23975 3/20 0.42
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.31
DRD2 P14416 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL278484 0.81 LMNA (0.44) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL967308 0.79 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL14608744 0.79 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL19198810 0.75 SLC6A4 (0.41) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL8373572 0.75 SLC6A4 (0.40) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL12158829 0.75 LMNA (0.44) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL3755807 0.75 SLC6A4 (0.41) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL8079753 0.74 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL14298073 0.74 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL7292734 0.74 SLC6A4 (0.39) LMNACYP2C9SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008098329-A2 PHARMACEUTICAL COMPOSITION, PHARMACEUTICAL PRODUCT, OBTAINING PROCESSES OF PHARMACEUTICAL COMPOUNDS AND USE OF SUCH COMPOUNDS FOR TREATING ERECTILE DYSFUNCTION ACHÉ LABORATÓRIOS FARMACÊUTICOS S/A (BR) 2008-08-21 WO claimed
CN-113527101-B Novel compound, polymer, process for producing the same, photosensitive resin composition, pattern forming process, cured film, and electronic component 信越化学工业株式会社 2024-04-23 CN disclosed
CN-113527680-B Polymer, photosensitive resin composition, pattern forming method, cured film, and electronic component 信越化学工业株式会社 2023-04-28 CN disclosed
WO-2008098329-A2 PHARMACEUTICAL COMPOSITION, PHARMACEUTICAL PRODUCT, OBTAINING PROCESSES OF PHARMACEUTICAL COMPOUNDS AND USE OF SUCH COMPOUNDS FOR TREATING ERECTILE DYSFUNCTION ACHÉ LABORATÓRIOS FARMACÊUTICOS S/A (BR) 2008-08-21 WO disclosed
US-6482837-B1 Antimuscarinic compounds and methods for treatment of bladder diseases UNIVERSITY OF ROCHESTER 2002-11-19 US disclosed