SCHEMBL27117946

SCHEMBL27117946

COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1)OC2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 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
SCHEMBL27117956 0.88 PDE7A (0.34) PDE7APDE3APDE10A
SCHEMBL27118937 0.86 CA12 (0.36) PDE7APDE3APDE10A
SCHEMBL30759598 0.86 RAD52 (0.38) PDE7APDE3APDE10A
SCHEMBL27119523 0.86 RAD52 (0.38) PDE7APDE3APDE10A
SCHEMBL30759613 0.84 PDE7A (0.33) PDE7APDE3APDE10A
SCHEMBL27124676 0.84 PDE7A (0.33) PDE7APDE3APDE10A
SCHEMBL27124643 0.84 PDE7A (0.33) PDE7APDE3APDE10A
SCHEMBL30759589 0.84 PDE7A (0.33) PDE7APDE3APDE10A
SCHEMBL17381962 0.84 NR1H4 (0.38) —
SCHEMBL27118272 0.84 PTGS2 (0.38) PDE7APDE3APDE10A

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-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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