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SCHEMBL14217997

SCHEMBL14217997

CN(C)S(=O)(=O)N[C@@H]1Cc2c(n(Cc3cccnc3N)c3ccc(N)cc23)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 1/20 0.33
▸ VCAM1 P19320 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GRIA2 P42262 1/20 0.32
▸ MAPK8 P45983 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ F10 P00742 1/20 0.30

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
SCHEMBL2024390 0.89 SCARB1 (0.39) ICAM1VCAM1PTGDR2GRIA2
SCHEMBL2024391 0.89 SCARB1 (0.39) ICAM1VCAM1PTGDR2GRIA2
SCHEMBL14218081 0.87 PARG (0.38) PTGDR2
SCHEMBL14218052 0.86 PTGDR2 (0.31) ICAM1VCAM1PTGDR2
SCHEMBL14218044 0.82 PARG (0.38) ICAM1VCAM1GRIA2
SCHEMBL14217955 0.80 PARG (0.36) PTGDR2GRIA2CA1CA2ACHE
SCHEMBL14217937 0.80 PARG (0.36) PTGDR2GRIA2CA1CA2ACHE
SCHEMBL14217956 0.80 PARG (0.36) PTGDR2GRIA2CA1CA2ACHE
SCHEMBL14218043 0.80 ICAM1 (0.31) ICAM1VCAM1GRIA2
SCHEMBL14218049 0.79 ICAM1 (0.32) ICAM1VCAM1GRIA2

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-2008063867-A2 TETRAHYDROCYCLOPENTA[B] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-05-29 — — WO disclosed
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