SCHEMBL27429695

SCHEMBL27429695

CN1CCN(c2nc(Nc3cccc(F)c3)c3nccnc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.49
▸ HTR2C P28335 7/20 0.48
▸ HTR2A P28223 4/20 0.48
▸ ABL1 P00519 2/20 0.47
▸ BTK Q06187 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CTSC P53634 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ BCL6 P41182 1/20 0.42
▸ NTRK1 P04629 1/20 0.42

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
SCHEMBL27248330 0.88 L3MBTL1 (0.58) HRH4HTR2CHTR2AL3MBTL1SMN1; SMN2
SCHEMBL27248319 0.87 HRH4 (0.46) HRH4HTR2CHTR2AL3MBTL1KMT2A
SCHEMBL27429988 0.86 HTR2C (0.61) HRH4HTR2CHTR2AMEN1BLM
SCHEMBL27429710 0.85 HTR2C (0.64) HRH4HTR2CHTR2ASMN1; SMN2CCNA2
SCHEMBL27430722 0.84 HTR2C (0.44) HRH4HTR2CHTR2AABL1BTK
SCHEMBL27248311 0.83 HPGD (0.58) HRH4HTR2CHTR2AABL1L3MBTL1
SCHEMBL27430034 0.81 HTR2C (0.48) HRH4HTR2CHTR2AABL1L3MBTL1
SCHEMBL27248392 0.80 HPGD (0.50) HRH4HTR2CHTR2AABL1BTK
SCHEMBL27430032 0.80 HTR2C (0.60) HRH4HTR2CHTR2A
SCHEMBL27248325 0.80 HPGD (0.54) HRH4HTR2CHTR2AABL1L3MBTL1

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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