SCHEMBL7978178

SCHEMBL7978178

CC(C)(Oc1ccc(F)cc1Cl)c1nnc(-c2ccc(N)cc2Cl)n1C1CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.38
HSD11B2 P80365 5/20 0.35
P2RX7 Q99572 1/20 0.33
PDE2A O00408 1/20 0.33
PDE6D O43924 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE6H Q13956 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL7978100 0.93 HSD11B1 (0.33) HSD11B1HSD11B2
SCHEMBL7977941 0.93 HSD11B1 (0.35) HSD11B1HSD11B2P2RX7
SCHEMBL7982916 0.88 HSD11B2 (0.36) HSD11B1HSD11B2P2RX7PDE2APDE6D
SCHEMBL7968275 0.88 HSD11B2 (0.39) HSD11B1HSD11B2P2RX7
SCHEMBL7982078 0.86 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL12671332 0.86 HSD11B1 (0.36) HSD11B1P2RX7PDE2APDE6DPDE6A
SCHEMBL12677376 0.86 HSD11B1 (0.50) HSD11B1HSD11B2PDE2APDE6DPDE6A
SCHEMBL7992171 0.84 CYP11B1 (0.35)
SCHEMBL7981581 0.83 HSD11B2 (0.38) HSD11B1HSD11B2P2RX7
SCHEMBL7984202 0.82 OPRM1 (0.36) HSD11B1HSD11B2

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
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed