SCHEMBL7180232

SCHEMBL7180232

CC(=O)O[C@H]1CC[C@H](n2c(=O)[nH]c3cc(C(F)(F)F)cnc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
JAK2 O60674 4/20 0.39
JAK3 P52333 4/20 0.39
IDO1 P14902 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNKS O95271 2/20 0.38
PDE4B Q07343 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
JAK1 P23458 2/20 0.37
TNKS2 Q9H2K2 1/20 0.36
OPRM1 P35372 2/20 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
SCHEMBL7180238 1.00 HSD11B1 (0.39) HSD11B1JAK2JAK3IDO1CYP2C9
SCHEMBL7191692 0.83 ALDH1A1 (0.49) HSD11B1JAK2JAK3CYP2C9CYP2C19
SCHEMBL7191736 0.81 TNKS (0.54) HSD11B1JAK2JAK3TNKSPDE4B
SCHEMBL7191729 0.81 TNKS (0.54) HSD11B1JAK2JAK3TNKSPDE4B
SCHEMBL7178530 0.77 JAK2 (0.39) HSD11B1JAK2JAK3CYP2C9CYP2C19
SCHEMBL7178523 0.77 JAK2 (0.39) HSD11B1JAK2JAK3CYP2C9CYP2C19
SCHEMBL21811053 0.77 HSD11B1 (0.45) HSD11B1JAK2JAK3CYP2C9CYP2C19
SCHEMBL21811052 0.77 HSD11B1 (0.45) HSD11B1JAK2JAK3CYP2C9CYP2C19
SCHEMBL7183866 0.77 HSD11B1 (0.47) HSD11B1MAPTKDM4E
SCHEMBL20468291 0.71 PRKDC (0.43) HSD11B1JAK2JAK3CYP2C9CYP2C19

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed