SCHEMBL3344897

SCHEMBL3344897

CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.57
USP30 Q70CQ3 2/20 0.56
PIK3CD O00329 4/20 0.50
CHEK2 O96017 2/20 0.48
ALDH1A1 P00352 1/20 0.47
FPR2 P25090 2/20 0.46
FPR3 P25089 1/20 0.46
PDE4B Q07343 1/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46

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
SCHEMBL24467408 1.00 GPR119 (0.57) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL22953093 1.00 GPR119 (0.57) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL29964863 0.93 CHEK2 (0.55) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL29964707 0.93 CHEK2 (0.55) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL2366151 0.92 GPR119 (0.65) GPR119USP30CHEK2ALDH1A1FPR2
SCHEMBL3343250 0.89 USP30 (0.52) GPR119USP30CHEK2ALDH1A1FPR2
SCHEMBL6189661 0.88 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL699609 0.88 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL15376614 0.88 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL20179924 0.88 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731029-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2023-09-12 CN disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2017146186-A1 5-PHENYLAZAINDOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT 塩野義製薬株式会社 2017-08-31 WO disclosed
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed