SCHEMBL1420956

SCHEMBL1420956

COc1c(Cl)ccnc1Cn1c2c(c3cc(C#N)ccc31)CC(NC(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 2/20 0.34
▸ PDE5A O76074 9/20 0.34
▸ ADAM17 P78536 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ PTGDR2 Q9Y5Y4 4/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ GPR6 P46095 1/20 0.32
▸ PDE6D O43924 1/20 0.32
▸ PDE6A P16499 1/20 0.32
▸ PDE6G P18545 1/20 0.32
▸ PDE6B P35913 1/20 0.32
▸ PDE6C P51160 1/20 0.32
▸ PDE6H Q13956 1/20 0.32
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 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
SCHEMBL1178469 0.90 SCARB1 (0.33) SCARB1PDE5AADAM17PTGDR2HRH1
SCHEMBL1178467 0.90 SCARB1 (0.33) SCARB1PDE5AADAM17PTGDR2HRH1
SCHEMBL13563337 0.80 SCARB1 (0.49) SCARB1PDE5AHRH1HTR6
SCHEMBL1420698 0.79 GPR6 (0.37) SCARB1PDE5AADAM17PTGDR2GPR6
SCHEMBL28633114 0.78 HRH1 (0.47) SCARB1PTGDR2HRH1HTR6
SCHEMBL28633113 0.78 HRH1 (0.47) SCARB1PTGDR2HRH1HTR6
SCHEMBL2024064 0.78 RORC (0.35) SCARB1PDE5APTGDR2HRH1HTR6
SCHEMBL2024062 0.78 RORC (0.35) SCARB1PDE5APTGDR2HRH1HTR6
SCHEMBL16493840 0.77 SCARB1 (0.35) SCARB1PTGDR2HRH1HTR6GPR6
SCHEMBL1178293 0.76 GPR6 (0.36) SCARB1HRH1HTR6GPR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297100-A1 TETRAHYDROCYCLOPENTAÝB¨INDOLE ANDROGEN RECEPTOR MODULATORS Eli Lilly & Company (US) 2011-03-23 — — EP disclosed
WO-2009140448-A1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-11-19 — — WO disclosed
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