SCHEMBL29814808

SCHEMBL29814808

CC(c1ccc(N)nc1)N1CCC[C@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.35
▸ FEN1 P39748 3/20 0.35
▸ PIK3CA P42336 5/20 0.35
▸ MTOR P42345 5/20 0.35
▸ SMPD3 Q9NY59 2/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KAT2B Q92831 2/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL29736774 1.00 ALOX5AP (0.35) ALOX5APFEN1PIK3CAMTORSMPD3
SCHEMBL23089230 1.00 ALOX5AP (0.35) ALOX5APFEN1PIK3CAMTORSMPD3
SCHEMBL23114270 0.87 MCHR1 (0.34) SMPD3MCHR1KDM4EKAT2BDPP4
SCHEMBL23425821 0.87 MCHR1 (0.34) SMPD3MCHR1KDM4EKAT2BDPP4
SCHEMBL23107567 0.85 KMT2A (0.39) MCHR1KDM4EKAT2BKCNH2
SCHEMBL24859594 0.85 KMT2A (0.39) MCHR1KDM4EKAT2BKCNH2
SCHEMBL23106973 0.85 KMT2A (0.39) MCHR1KDM4EKAT2BKCNH2
SCHEMBL23089399 0.84 CHRNB2 (0.37) MCHR1KDM4EKAT2BDPP4KCNH2
SCHEMBL23102959 0.84 MCHR1 (0.34) SMPD3MCHR1KDM4EKAT2BDPP4
SCHEMBL23103248 0.84 MCHR1 (0.34) SMPD3MCHR1KDM4EKAT2BDPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 — — CN disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 — — CN disclosed
CN-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 — — CN disclosed
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