SCHEMBL29085248

SCHEMBL29085248

COc1cc(C(=O)N[C@@H]2CCOC2)ncc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 1/20 0.44
▸ USP30 Q70CQ3 6/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TRPC6 Q9Y210 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ALK Q9UM73 4/20 0.40
▸ PDCD1 Q15116 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL29085224 0.89 GPR6 (0.46) GPR6HPGDSTRPC6PDCD1CD274
SCHEMBL29085228 0.89 GPR6 (0.46) GPR6HPGDSTRPC6PDCD1CD274
SCHEMBL29085194 0.84 GPR6 (0.47) GPR6HPGDSTRPC6PDCD1CD274
SCHEMBL30064550 0.84 GPR6 (0.47) GPR6HPGDSTRPC6PDCD1CD274
SCHEMBL29085197 0.84 GPR6 (0.47) GPR6HPGDSTRPC6PDCD1CD274
SCHEMBL29085192 0.83 MAPT (0.54) USP30MEN1MAPTTSHRKMT2A
SCHEMBL30604692 0.83 MAPT (0.54) USP30MEN1MAPTTSHRKMT2A
SCHEMBL29085193 0.83 MAPT (0.54) USP30MEN1MAPTTSHRKMT2A
SCHEMBL29085218 0.83 MAPT (0.54) USP30MEN1MAPTTSHRKMT2A
SCHEMBL30604698 0.83 MAPT (0.54) USP30MEN1MAPTTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867783-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-10-10 — — CN disclosed
WO-2022222964-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-10-27 — — WO disclosed
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