SCHEMBL99039

SCHEMBL99039

N#Cc1cccc(Br)c1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL29358412 1.00
Water SCHEMBL27994505 1.00 ENPP2 (0.48)
Hydrochloric Acid SCHEMBL30570503 0.98 ENPP2 (0.47)
SCHEMBL28653776 0.88 MAOA (0.43)
SCHEMBL783352 0.87 CLK4 (0.53)
Phenol SCHEMBL27617459 0.86 TSHR (0.46)
SCHEMBL21921980 0.85 CLK4 (0.52)
SCHEMBL9166677 0.82 EPAS1 (0.47)
SCHEMBL9289 0.81 TSHR (0.61)
SCHEMBL2817154 0.81 TSHR (0.61)

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

Appears in 2602 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650120-B1 FLUIDIZED-BED CATALYST APPLICABLE TO HALOARYLNITRILE PRODUCTION, AND PREPARATION AND APPLICATION THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2024-09-18 EP claimed
CN-116253686-B Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-11-17 CN claimed
CN-115010671-B One-step synthesis method of 2-substituted quinazolinone 江苏大学 2023-10-10 CN claimed
CN-113024530-B Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof 合肥工业大学 2023-07-18 CN claimed
CN-116253686-A Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-06-13 CN claimed
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 CN claimed
WO-2023283974-A1 DEUTERATED AMMONIA PREPARATION METHOD AND DEUTERATION REACTION INVOLVING SAME AS DEUTERIUM SOURCE 苏州大学 2023-01-19 WO claimed
CN-115010671-A One-step synthesis method of 2-substituted quinazolinone 江苏大学 2022-09-06 CN claimed
CN-113526526-A Preparation method of deuterated ammonia and deuterated reaction taking deuterated ammonia as deuterium source to participate 苏州大学 2021-10-22 CN claimed
CN-113024530-A Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof 合肥工业大学 2021-06-25 CN claimed
EP-3650120-A1 FLUIDIZED-BED CATALYST APPLICABLE TO HALOARYLNITRILE PRODUCTION, AND PREPARATION AND APPLICATION THEREOF China Petroleum & Chemical Corporation (CN) 2020-05-13 EP claimed
US-7226933-B2 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-06-05 US claimed
US-7186733-B2 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-03-06 US claimed
EP-1395555-B1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-12-21 EP claimed
US-20040235897-A1 4-(Phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders BROWN WILLIAM (CA) 2004-11-25 US claimed
US-20040142965-A1 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-07-22 US claimed
EP-1395556-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP claimed
EP-1395555-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP claimed
WO-2002094782-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO claimed
WO-2002094784-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO claimed