SCHEMBL22424229

SCHEMBL22424229

COc1ccc(CNc2nc3c(c(=O)n2C(C)C)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRLHR P49683 15/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL22424568 0.92 PRLHR (0.51) PRLHRHDAC6GRM5MAPK1HTR1A
SCHEMBL22424695 0.90 PRLHR (0.53) PRLHRHDAC6GRM5HTR1A
SCHEMBL22424283 0.88 PRLHR (0.50) PRLHRHDAC6GRM5HTR1A
SCHEMBL22424573 0.88 PRLHR (0.51) PRLHRHDAC6GRM5HTR1A
SCHEMBL22424690 0.88 PRLHR (0.49) PRLHRHDAC6GRM5HTR1A
SCHEMBL22424555 0.88 PRLHR (0.51) PRLHRHDAC6GRM5HTR1A
SCHEMBL22424014 0.88 PRLHR (0.51) PRLHRHDAC6GRM5
SCHEMBL22424571 0.88 PRLHR (0.51) PRLHRHDAC6GRM5HTR1A
SCHEMBL22410896 0.87 PRLHR (0.49) PRLHRHDAC6GRM5HTR1A
SCHEMBL22424687 0.87 PRLHR (0.49) PRLHRHDAC6GRM5HTR1A

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-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO disclosed
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