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Sugi Predict / Compounds / SCHEMBL30718161

SCHEMBL30718161

SCHEMBL30718161

CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1nccc(-c2cnc3ccccc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.44
▸ MTOR P42345 7/20 0.41
▸ PIK3CA P42336 6/20 0.41
▸ AGTR2 P50052 1/20 0.41
▸ RET P07949 1/20 0.41
▸ USP30 Q70CQ3 3/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ HPGDS O60760 3/20 0.39

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
SCHEMBL27029459 1.00 GPR119 (0.44) GPR119MTORPIK3CAAGTR2RET
SCHEMBL29931593 0.86 AGTR2 (0.47) MTORPIK3CAAGTR2HDAC8
SCHEMBL27029442 0.83 ACHE (0.55) GPR119PIK3CAPDE10A
SCHEMBL30718211 0.83 ACHE (0.55) GPR119PIK3CAPDE10A
SCHEMBL31254485 0.81 GPR119 (0.46) GPR119MTORRETUSP30PDE10A
SCHEMBL29115840 0.78 MAPKAPK2 (0.41) MTORPIK3CAHDAC8
SCHEMBL30718176 0.78 MAPKAPK2 (0.41) MTORPIK3CAHDAC8
SCHEMBL30718218 0.78 MAPKAPK2 (0.41) MTORPIK3CAHDAC8
SCHEMBL27063742 0.76 PIK3CA (0.43) MTORPIK3CAAGTR2HDAC8
SCHEMBL16933645 0.76 GPR119 (0.47) GPR119AGTR2USP30

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
CN-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 — — CN disclosed