SCHEMBL24746253

SCHEMBL24746253

CN[C@@H]1CCCN(c2ccc(C)nc2)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 15/20 0.53
▸ DOT1L Q8TEK3 1/20 0.48
▸ ROCK2 O75116 4/20 0.46
▸ ROCK1 Q13464 4/20 0.46
▸ CDC42BPB Q9Y5S2 4/20 0.46
▸ CDC42BPA Q5VT25 1/20 0.44

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
SCHEMBL23108626 1.00 HRH4 (0.53) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL23504191 1.00 HRH4 (0.53) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL22795991 0.86 ROCK2 (0.46) HRH4ROCK2ROCK1CDC42BPB
SCHEMBL20255284 0.84 HRH4 (0.45) HRH4ROCK2ROCK1
SCHEMBL4827822 0.84 CHRNB2 (0.51) HRH4DOT1L
SCHEMBL4828913 0.84 CHRNB2 (0.52) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL4822898 0.84 CHRNB2 (0.51) HRH4DOT1L
SCHEMBL4828769 0.84 CHRNB2 (0.52) HRH4DOT1LROCK2ROCK1CDC42BPB
SCHEMBL25372803 0.83 KMT2A (0.53) ROCK1CDC42BPB
SCHEMBL23497669 0.83 KMT2A (0.53) ROCK1CDC42BPB

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 — — WO disclosed
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