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Sugi Predict / Compounds / SCHEMBL27887166

SCHEMBL27887166

SCHEMBL27887166

CC(C)(C)C(=O)ON1CCC[C@@H](c2ccc(N)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PROKR1 Q8TCW9 7/20 0.36
▸ GAA P10253 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL27870976 1.00 DRD2 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL27726484 1.00 DRD2 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL27904323 0.93 SLC18A3 (0.40) SLC18A3PDE4BRIPK1HTTRAB9A
SCHEMBL28318315 0.87 ALDH1A1 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL27629052 0.87 ALDH1A1 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL28685326 0.87 ALDH1A1 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL27979570 0.86 SLC18A3 (0.33) SLC18A3ALDH1A1LMNAGAARIPK1
SCHEMBL27872124 0.85 DRD3 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL27318172 0.85 SLC18A3 (0.44) SLC18A3RIPK1
SCHEMBL27937102 0.83 SLC6A2 (0.40) PROKR1HSD11B1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432057-A Method for preparing (3S)-3-(4-aminophenyl)-piperidyl-1-tert-butyl formate 青岛云天生物技术有限公司 2017-02-22 — — CN claimed
CN-106432056-A Preparation method of niraparib intermediate of (3S)-3-(4-aminophenyl) piperidine-1-tert-butyl formate 青岛辰达生物科技有限公司 2017-02-22 — — CN claimed
CN-114195702-A Intermediate for synthesizing antitumor drug nilapali and preparation method thereof 瑞博(杭州)医药科技有限公司 2022-03-18 — — CN disclosed
CN-109265390-B Preparation method of intermediate for synthesizing antitumor drug niraparib and intermediate 再鼎医药(上海)有限公司 2020-02-21 — — CN disclosed
CN-110343088-A A kind of derivative and its preparation method and application based on PARP inhibitor Niraparib 东南大学 2019-10-18 — — CN disclosed
CN-109265390-A A kind of preparation method and intermediate of the intermediate for synthesizing antineoplastic medicament niraparib 再鼎医药(上海)有限公司 2019-01-25 — — CN disclosed
CN-106432057-A Method for preparing (3S)-3-(4-aminophenyl)-piperidyl-1-tert-butyl formate 青岛云天生物技术有限公司 2017-02-22 — — CN disclosed
CN-106432057-A Method for preparing (3S)-3-(4-aminophenyl)-piperidyl-1-tert-butyl formate 青岛云天生物技术有限公司 2017-02-22 — — CN disclosed
CN-106432057-A Method for preparing (3S)-3-(4-aminophenyl)-piperidyl-1-tert-butyl formate 青岛云天生物技术有限公司 2017-02-22 — — CN disclosed
CN-106432056-A Preparation method of niraparib intermediate of (3S)-3-(4-aminophenyl) piperidine-1-tert-butyl formate 青岛辰达生物科技有限公司 2017-02-22 — — CN disclosed
CN-106432056-A Preparation method of niraparib intermediate of (3S)-3-(4-aminophenyl) piperidine-1-tert-butyl formate 青岛辰达生物科技有限公司 2017-02-22 — — CN disclosed
CN-106432056-A Preparation method of niraparib intermediate of (3S)-3-(4-aminophenyl) piperidine-1-tert-butyl formate 青岛辰达生物科技有限公司 2017-02-22 — — CN disclosed
CN-105254623-A SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE 2016-01-20 — — CN disclosed
CN-101578279-B Amide substituted indazoles as poly (ADP ribose) polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO 2013-07-17 — — CN disclosed
CN-102686563-A Substituted benzamide derivatives HOFFMANN LA ROCHE 2012-09-19 — — CN disclosed