SCHEMBL25048412

SCHEMBL25048412

CN(CCCN(CCc1ccc(F)cc1)C(=O)OC(C)(C)C)C[C@@H]1CC[C@H](n2cc(-c3nccs3)c3c(N)nc(Cl)nc32)C1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.30
▸ HCRTR2 O43614 4/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CCR3 P51677 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL25048410 0.90 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL25048184 0.89 KDM1A (0.31) —
SCHEMBL30941096 0.88 — —
SCHEMBL25047620 0.87 MEN1 (0.38) MEN1
SCHEMBL25048380 0.79 ACKR3 (0.31) —
SCHEMBL25048360 0.79 RIPK2 (0.30) —
SCHEMBL30941221 0.77 — —
SCHEMBL31617985 0.77 CA2 (0.31) —
SCHEMBL25047629 0.76 SRC (0.34) —
SCHEMBL25048408 0.76 ACACB (0.35) —

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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