SCHEMBL8636554

SCHEMBL8636554

O=C(Cl)O[C@H]1CC2CCC1C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
CYP19A1 P11511 1/20 0.47
GRM1 Q13255 6/20 0.41
POLB P06746 1/20 0.37
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
EPHX2 P34913 1/20 0.34
HSD11B1 P28845 1/20 0.34
SCN9A Q15858 2/20 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
SCHEMBL2655194 1.00 ATM (0.58) ATMCYP19A1GRM1POLBPDE4A
SCHEMBL8636425 1.00 ATM (0.58) ATMCYP19A1GRM1POLBPDE4A
SCHEMBL2654180 0.89 ATM (0.46) ATMCYP19A1GRM1POLB
SCHEMBL3073477 0.84 ATM (0.59) ATMCYP19A1GRM1POLBEPHX2
SCHEMBL7442862 0.83 ATM (0.62) ATMCYP19A1GRM1POLBPDE4A
SCHEMBL13740309 0.83 ATM (0.62) ATMCYP19A1GRM1POLBPDE4A
SCHEMBL2623615 0.81 ATM (0.56) ATMCYP19A1GRM1
SCHEMBL3083578 0.81 ATM (0.56) ATMCYP19A1GRM1POLBPDE4A
SCHEMBL22592072 0.81 ATM (0.56) ATMCYP19A1GRM1POLBPDE4A
SCHEMBL15219695 0.81 ATM (0.56) ATMCYP19A1GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748312-B1 BICYCLIC CARBAMATES AS LEUKOTRIENE D4 ANTAGONISTS PFIZER (US) 1998-07-22 EP disclosed
US-5439929-A Antagonist of leukotriene D4; blocking the leukotriene D4 receptor PFIZER INC. (US) 1995-08-08 US disclosed