SCHEMBL25048576

SCHEMBL25048576

CN1CCC[C@H]([C@H]2C[C@@H](n3cc(-c4nc(Cc5ccccc5)cs4)c4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 1/20 0.33
▸ CA2 P00918 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 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
SCHEMBL30940812 1.00 C1S (0.33) C1SCA2DRD2DRD4DRD3
SCHEMBL25048476 1.00 C1S (0.33) C1SCA2DRD2DRD4DRD3
SCHEMBL30940995 1.00 C1S (0.33) C1SCA2DRD2DRD4DRD3
SCHEMBL25048499 0.91 C1S (0.34) C1SCA2
SCHEMBL25047781 0.88 AXL (0.33) DRD2DRD4DRD3
SCHEMBL30941162 0.88 AXL (0.33) DRD2DRD4DRD3
SCHEMBL25047793 0.87 C1S (0.33) C1SCA2DRD2DRD4DRD3
SCHEMBL25047795 0.87 C1S (0.33) C1SCA2
SCHEMBL25047889 0.86 IGF1R (0.32) C1SCA2DRD2DRD4DRD3
SCHEMBL25048724 0.86 C1S (0.31) C1SCA2

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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