SCHEMBL10072596

SCHEMBL10072596

Cc1ccc(CC2CCN(C3CCC(F)CC3)C2=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
OPRM1 P35372 4/20 0.39
CACNA1F O60840 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA1D P25100 2/20 0.39
HTR7 P34969 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
CHRM2 P08172 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 1/20 0.36

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
SCHEMBL474703 0.88 HSD11B1 (0.41) HSD11B1OPRM1P2RX7ROCK2
SCHEMBL474662 0.88 HSD11B1 (0.41) HSD11B1OPRM1P2RX7ROCK2
SCHEMBL12432122 0.88 HSD11B1 (0.41) HSD11B1OPRM1CACNA1FCHRM1ADRA1D
SCHEMBL474663 0.88 HSD11B1 (0.41) HSD11B1OPRM1P2RX7ROCK2
SCHEMBL13955223 0.87 HSD11B1 (0.39) HSD11B1OPRM1CACNA1FCHRM1ADRA1D
SCHEMBL10072394 0.86 HSD11B1 (0.40) HSD11B1OPRM1CACNA1FCHRM1ADRA1D
SCHEMBL10072800 0.86 HSD11B1 (0.41) HSD11B1P2RX7ROCK2
SCHEMBL13955044 0.83 HSD11B1 (0.47) HSD11B1OPRM1CACNA1FCHRM1ADRA1D
SCHEMBL13675621 0.78 HSD11B1 (0.39) HSD11B1OPRM1P2RX7ROCK2
SCHEMBL12432124 0.78 F2 (0.41) HSD11B1OPRM1CACNA1FCHRM1ADRA1D

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-2049475-B1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-02-01 EP disclosed