SCHEMBL7977941

SCHEMBL7977941

CC(C)(Oc1ccc(F)cc1F)c1nnc(-c2ccc(N)cc2Cl)n1C1CC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 1/20 0.35
P2RX7 Q99572 1/20 0.33
MAPK14 Q16539 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SCD O00767 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7978178 0.93 HSD11B1 (0.38) HSD11B1HSD11B2P2RX7
SCHEMBL7968275 0.93 HSD11B2 (0.39) HSD11B1HSD11B2P2RX7
SCHEMBL7992171 0.91 CYP11B1 (0.35) MAPK14CYP11B1CYP11B2ALDH1A1
SCHEMBL7978100 0.89 HSD11B1 (0.33) HSD11B1HSD11B2CYP11B1CYP11B2ALDH1A1
SCHEMBL7982916 0.87 HSD11B2 (0.36) HSD11B1HSD11B2P2RX7
SCHEMBL7978176 0.87 OPRM1 (0.36) HSD11B1MAPK14
SCHEMBL12671330 0.86 GPR6 (0.39)
SCHEMBL7968569 0.86 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL7979711 0.86 HSD11B1 (0.36) HSD11B1HSD11B2ALDH1A1
SCHEMBL7981581 0.85 HSD11B2 (0.38) HSD11B1HSD11B2P2RX7

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