SCHEMBL27429487

SCHEMBL27429487

Cc1ccc(Nc2nc(N3CCN(C)[C@@H](C)C3)nc3nccnc23)cc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.43
ADRA2B P18089 11/20 0.43
ADRA2C P18825 11/20 0.43
HPGD P15428 1/20 0.43
ROCK2 O75116 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KARS1 Q15046 1/20 0.38
CYBB P04839 1/20 0.38
NOX5 Q96PH1 1/20 0.38
NOX3 Q9HBY0 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL27430717 1.00 ADRA2A (0.43) ADRA2AADRA2BADRA2CHPGDROCK2
SCHEMBL27430718 1.00 ADRA2A (0.43) ADRA2AADRA2BADRA2CHPGDROCK2
SCHEMBL27248311 0.85 HPGD (0.58) HPGDL3MBTL1MAPTCYBBNOX5
SCHEMBL27429987 0.82 MAPT (0.48) HPGDROCK2L3MBTL1MAPTNPC1
SCHEMBL27248325 0.81 HPGD (0.54) HPGDL3MBTL1MAPTCYBBNOX5
SCHEMBL27429930 0.80 L3MBTL1 (0.60) HPGDROCK2L3MBTL1MAPTCYBB
SCHEMBL27429469 0.80 HPGD (0.45) HPGDROCK2L3MBTL1MAPTNPC1
SCHEMBL27248392 0.78 HPGD (0.50) HPGDMAPTALDH1A1
SCHEMBL17716933 0.76 HTR2C (0.50) HPGDL3MBTL1MAPTCYBBNOX4
SCHEMBL23867520 0.75 TDP1 (0.48) HPGDROCK2MAPTNPC1RAB9A

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