SCHEMBL30332418

SCHEMBL30332418

CC(C)(O)c1ccc(-c2ccccc2CN)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.47
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ PDE10A Q9Y233 7/20 0.39
▸ EED O75530 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ EZH2 Q15910 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ F10 P00742 2/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ ATR Q13535 1/20 0.34

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
SCHEMBL16814937 0.83 DPP4 (0.49) DPP4NOS3NOS1NOS2PDE10A
SCHEMBL30607659 0.81 DPP4 (0.41) DPP4PDE10AEEDSUZ12EZH2
SCHEMBL8279412 0.78 DPP4 (0.53) DPP4NOS3NOS1NOS2F10
SCHEMBL8280206 0.75 DPP4 (0.50) DPP4NOS3NOS1NOS2F10
SCHEMBL14007487 0.74 DPP4 (0.49) DPP4
SCHEMBL30607577 0.74 DPP4 (0.49) DPP4NOS3NOS1NOS2
SCHEMBL30332217 0.73 ESR2 (0.50) PDE10AALOX5APTRPA1
SCHEMBL27806948 0.71 DPP4 (0.53) DPP4NOS3NOS1NOS2F10
SCHEMBL28782003 0.70 MAPK1 (0.49) DPP4F10
SCHEMBL5337616 0.68 MAP4K4 (0.58) —

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-2023046128-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-30 — — WO disclosed
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