SCHEMBL1552328

SCHEMBL1552328

OCC1(O)CC(c2ncc3c(Cl)cccn23)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.36
HSD11B1 P28845 5/20 0.34
PDE1C Q14123 5/20 0.33
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PTPN11 Q06124 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL397564 0.81 PDE1C (0.32) PDE1CPDE1APDE1B
SCHEMBL1442435 0.68
SCHEMBL2616540 0.65 HSD11B1 (0.69) HSD11B1PDE1CPDE1APDE1B
SCHEMBL22653026 0.65 CHRNA7 (0.42)
SCHEMBL593295 0.64 TNK2 (0.40)
SCHEMBL12086449 0.64 HSD11B1 (0.53) HSD11B1PDE1CPDE1APDE1B
SCHEMBL16748915 0.62 TNK2 (0.37)
SCHEMBL19264066 0.62 TNK2 (0.39)
SCHEMBL25221946 0.61 PDE1C (0.43) SSTR4PDE1CPDE1APDE1B
SCHEMBL28588947 0.61 SSTR4 (0.39) SSTR4PDE1CPDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951724-B1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARM INC (US) 2011-04-27 EP disclosed