SCHEMBL31715265

SCHEMBL31715265

O=C1OC[C@@H]2C[C@@H](Nc3cc4c(=O)n(Cc5ccc(Cl)cc5)cnc4cc3-c3cnco3)CCN12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.38
▸ MMP13 P45452 2/20 0.36
▸ SCD O00767 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ ROCK2 O75116 3/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32

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
SCHEMBL23555570 0.87 PDE5A (0.38) PDE5AMMP13SCDHDAC6TRPA1
SCHEMBL31715277 0.85 PDE5A (0.37) PDE5AMMP13SCDHDAC6ENPP2
SCHEMBL31715278 0.84 PDE5A (0.36) PDE5AMMP13SCDHDAC6ENPP2
SCHEMBL23555296 0.80 MAOA (0.33) PDE5ASCDENPP2TRPA1TP53
SCHEMBL31715227 0.77 CXCR3 (0.36) MCHR1TP53ROCK2CCR2
SCHEMBL23555560 0.77 TP53 (0.41) PDE5ATRPA1TP53
SCHEMBL31715259 0.75 SCD (0.48) PDE5AMMP13SCDHDAC6TP53
SCHEMBL23555582 0.74 LMNA (0.33) TP53
SCHEMBL23555762 0.74 SCD (0.43) PDE5AMMP13SCDTRPA1TP53
SCHEMBL23555294 0.73 PDE1A (0.41) HDAC6

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-2025227148-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR TREATMENT OF HERPES VIRUSES ASSEMBLY BIOSCIENCES, INC. (US) 2025-10-30 — — WO disclosed
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