SCHEMBL8104817

SCHEMBL8104817

C[C@@H]1CN(c2cc(F)ccc2S(C)(=O)=O)CCN1C(O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 19/20 0.40
▸ EPHX2 P34913 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
SCHEMBL4573282 0.75 HSD11B1 (0.45) HSD11B1
SCHEMBL8109108 0.69 HSD11B1 (0.49) HSD11B1
SCHEMBL8107608 0.68 HRH3 (0.40) —
SCHEMBL8111931 0.66 PSMB5 (0.38) —
SCHEMBL4513999 0.65 KDR (0.48) —
SCHEMBL8099271 0.65 — —
SCHEMBL8114463 0.65 CHRM4 (0.43) —
SCHEMBL8097201 0.63 — —
SCHEMBL8114396 0.62 CTSB (0.40) —
SCHEMBL21361440 0.62 DRD2 (0.41) HSD11B1

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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