SCHEMBL27430647

SCHEMBL27430647

CN1CCN(c2nc(Nc3cccc([C@H]4C[C@@H]4C(=O)O)c3)c3nccnc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.41
▸ HTR2C P28335 5/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BRAF P15056 2/20 0.39
▸ SRC P12931 2/20 0.38
▸ CTSC P53634 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BTK Q06187 1/20 0.36

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
SCHEMBL27430721 1.00 HRH4 (0.41) HRH4HTR2CHTR2AL3MBTL1BRAF
SCHEMBL27430646 1.00 HRH4 (0.41) HRH4HTR2CHTR2AL3MBTL1BRAF
SCHEMBL27429805 1.00 HRH4 (0.41) HRH4HTR2CHTR2AL3MBTL1BRAF
SCHEMBL27430744 1.00 HRH4 (0.41) HRH4HTR2CHTR2AL3MBTL1BRAF
SCHEMBL30879557 0.91 HTR2C (0.42) HRH4HTR2CHTR2AL3MBTL1BRAF
SCHEMBL30879562 0.91 HTR2C (0.42) HRH4HTR2CHTR2AL3MBTL1BRAF
SCHEMBL27248298 0.91 HTR2C (0.42) HRH4HTR2CHTR2AL3MBTL1BRAF
SCHEMBL27430722 0.83 HTR2C (0.44) HRH4HTR2CHTR2AL3MBTL1SRC
SCHEMBL27248330 0.79 L3MBTL1 (0.58) HRH4HTR2CHTR2AL3MBTL1SRC
SCHEMBL27429703 0.78 NPC1 (0.48) HRH4HTR2CHTR2AL3MBTL1BRAF

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-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 — — WO disclosed
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