SCHEMBL30879557

SCHEMBL30879557

COC(=O)C1CC1c1cccc(Nc2nc(N3CCN(C)CC3)nc3nccnc23)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SRC P12931 4/20 0.39
▸ BRAF P15056 3/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ BCL6 P41182 1/20 0.35

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
SCHEMBL30879562 1.00 HTR2C (0.42) HTR2CHTR2AL3MBTL1SRCBRAF
SCHEMBL27248298 1.00 HTR2C (0.42) HTR2CHTR2AL3MBTL1SRCBRAF
SCHEMBL27430647 0.91 HRH4 (0.41) HTR2CHTR2AL3MBTL1SRCBRAF
SCHEMBL27430744 0.91 HRH4 (0.41) HTR2CHTR2AL3MBTL1SRCBRAF
SCHEMBL27430721 0.91 HRH4 (0.41) HTR2CHTR2AL3MBTL1SRCBRAF
SCHEMBL27430646 0.91 HRH4 (0.41) HTR2CHTR2AL3MBTL1SRCBRAF
SCHEMBL27429805 0.91 HRH4 (0.41) HTR2CHTR2AL3MBTL1SRCBRAF
SCHEMBL27430722 0.82 HTR2C (0.44) HTR2CHTR2AL3MBTL1SRCHRH4
SCHEMBL27429710 0.79 HTR2C (0.64) HTR2CHTR2ASRCHRH4
SCHEMBL27248330 0.78 L3MBTL1 (0.58) HTR2CHTR2AL3MBTL1SRCHRH4

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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