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SCHEMBL28402183

SCHEMBL28402183

NC(=O)C(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MTNR1A P48039 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MC4R P32245 4/20 0.47
▸ MC5R P33032 4/20 0.47
▸ MC1R Q01726 4/20 0.47
▸ MC3R P41968 3/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PARP10 Q53GL7 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ACP3 P15309 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.43
▸ METAP2 P50579 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43

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
SCHEMBL25375484 0.93 HDAC1 (0.55) CYP1A2CYP2D6CYP2C19MTNR1ATDP1
SCHEMBL25376490 0.91 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19MTNR1ATDP1
SCHEMBL25375583 0.87 ALDH1A1 (0.45) CYP1A2CYP2D6CYP2C19MTNR1ATDP1
SCHEMBL25378150 0.82 HDAC1 (0.46) CYP1A2CYP2D6CYP2C19HDAC1HDAC6
SCHEMBL22651839 0.79 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19MTNR1ATDP1
SCHEMBL25376718 0.78 TRPM8 (0.43) CYP1A2CYP2D6CYP2C19MC4RMC5R
SCHEMBL25377294 0.77 CDYL (0.39) CYP1A2CYP2D6CYP2C19MTNR1AHDAC1
SCHEMBL17710475 0.77 CYP2C19 (0.60) CYP1A2CYP2D6CYP2C19TDP1HDAC1
SCHEMBL6028567 0.77 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19MTNR1ATDP1
SCHEMBL1420697 0.75 TDP1 (0.53) CYP1A2CYP2D6CYP2C19MTNR1ATDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872894-A Synthesis of non-ionic contrast agents 上海慧聚药业有限公司 2023-03-31 — — CN claimed
CN-115521298-A Preparation method of brexpiprazole 江苏慧聚药业股份有限公司 2022-12-27 — — CN claimed
CN-111233748-B Synthesis of tirofiban hydrochloride 江苏慧聚药业股份有限公司 2022-07-26 — — CN claimed
CN-114539155-A Preparation of edaravone 江苏慧聚药业有限公司 2022-05-27 — — CN claimed
CN-114456135-A Preparation of dronedarone 江苏慧聚药业股份有限公司 2022-05-10 — — CN claimed
CN-113461572-A Synthesis of 2- (3-bromo-5-methylphenyl) acetonitrile 江苏慧聚药业有限公司 2021-10-01 — — CN claimed
CN-113444052-A Synthesis of gefitinib 江苏君若药业有限公司 2021-09-28 — — CN claimed
CN-111303131-B Tegoprazan (Tegoprazan) analogue and synthetic method thereof 江苏慧聚药业有限公司 2021-06-04 — — CN claimed
CN-111303131-A Tegoprazan (Tegoprazan) analogue and synthetic method thereof 海门慧聚药业有限公司 2020-06-19 — — CN claimed
CN-111233748-A Synthesis of tirofiban hydrochloride 海门慧聚药业有限公司 2020-06-05 — — CN claimed
CN-111187229-A Preparation of patozelide and toltrazuril 海门慧聚药业有限公司 2020-05-22 — — CN claimed
CN-115872894-A Synthesis of non-ionic contrast agents 上海慧聚药业有限公司 2023-03-31 — — CN disclosed
CN-115521298-A Preparation method of brexpiprazole 江苏慧聚药业股份有限公司 2022-12-27 — — CN disclosed
CN-114539155-A Preparation of edaravone 江苏慧聚药业有限公司 2022-05-27 — — CN disclosed
CN-114456135-A Preparation of dronedarone 江苏慧聚药业股份有限公司 2022-05-10 — — CN disclosed
CN-113444052-A Synthesis of gefitinib 江苏君若药业有限公司 2021-09-28 — — CN disclosed
CN-111303131-B Tegoprazan (Tegoprazan) analogue and synthetic method thereof 江苏慧聚药业有限公司 2021-06-04 — — CN disclosed
CN-111303131-A Tegoprazan (Tegoprazan) analogue and synthetic method thereof 海门慧聚药业有限公司 2020-06-19 — — CN disclosed
CN-111233748-A Synthesis of tirofiban hydrochloride 海门慧聚药业有限公司 2020-06-05 — — CN disclosed
CN-111187229-A Preparation of patozelide and toltrazuril 海门慧聚药业有限公司 2020-05-22 — — CN disclosed