SCHEMBL14218052

SCHEMBL14218052

CN(C)S(=O)(=O)N[C@@H]1Cc2c(n(Cc3cccnc3N3C(=O)c4ccccc4C3=O)c3ccc(N)cc23)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ ICAM1 P05362 1/20 0.30
▸ VCAM1 P19320 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
SCHEMBL2027538 0.89 SCARB1 (0.36) —
SCHEMBL2022793 0.89 SCARB1 (0.36) —
SCHEMBL14217997 0.86 ICAM1 (0.33) PTGDR2ICAM1VCAM1
SCHEMBL14218081 0.82 PARG (0.38) PTGDR2
SCHEMBL14218039 0.78 HTR6 (0.43) —
SCHEMBL14218044 0.77 PARG (0.38) ICAM1VCAM1
SCHEMBL2024390 0.77 SCARB1 (0.39) PTGDR2ICAM1VCAM1
SCHEMBL2024391 0.77 SCARB1 (0.39) PTGDR2ICAM1VCAM1
SCHEMBL14217956 0.74 PARG (0.36) PTGDR2
SCHEMBL14217937 0.74 PARG (0.36) PTGDR2

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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