SCHEMBL4216627

SCHEMBL4216627

COc1ccc(Br)c2c1C[C@@H](NC(=O)C(F)(F)F)CC2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
MTNR1A P48039 10/20 0.47
MTNR1B P49286 10/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ACHE P22303 2/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
NQO2 P16083 1/20 0.40
ADRA1A P35348 1/20 0.39

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
SCHEMBL4656341 1.00 CYP1A2 (0.57) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL4207460 0.86 MTNR1A (0.47) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL4517933 0.84 MTNR1A (0.44) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL4518508 0.82 MTNR1A (0.44) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL4514272 0.82 MTNR1A (0.44) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL4217159 0.81 MTNR1A (0.73) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL8960011 0.79 MTNR1A (0.52) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL4221230 0.79 DRD4 (0.42) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL7543096 0.78 DRD2 (0.58) CYP1A2MTNR1AMTNR1BCA1CA2
SCHEMBL4519458 0.78 SMN1; SMN2 (0.51) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122028794-A Fungicidal combinations, fungicidal compositions, methods and uses thereof UPL毛里求斯有限公司 2026-05-12 CN claimed
CN-117417748-A Buffer oxide etching solution for inhibiting aluminum and application thereof 湖北兴福电子材料股份有限公司 2024-01-19 CN claimed
CN-116786012-A Preparation method of chemicals and stirring device capable of sectionally blanking 江西科苑生物股份有限公司 2023-09-22 CN claimed
US-4424348-A METHACRYLONITRILE-B,D-GLUCURONIC ACID Schwimmer, Adolf W. (IL) 1984-01-03 US claimed
WO-1980000791-A1 B-GLUCURONIDASE ACTIVITY AND/OR PH-DEPENDENT PHARMACEUTICALS AND THEIR METHODS OF PRODUCTION AND USE FOR SELECTIVE TREATMENT OF DISEASES SCHWIMMER A (US) 1980-05-01 WO claimed
CN-122028794-A Fungicidal combinations, fungicidal compositions, methods and uses thereof UPL毛里求斯有限公司 2026-05-12 CN disclosed
CN-122028794-A Fungicidal combinations, fungicidal compositions, methods and uses thereof UPL毛里求斯有限公司 2026-05-12 CN disclosed
CN-119464261-A Nitrilase mutant and application thereof in amide synthesis 百开盛(上海)生物科技有限公司 2025-02-18 CN disclosed
CN-119423082-A Bactericidal composition containing mandipropamid and application thereof 海利尔药业集团股份有限公司 2025-02-14 CN disclosed
CN-118852011-A Substituted tolyl fungicides FMC公司 2024-10-29 CN disclosed
CN-113260610-B Substituted tolyl fungicides FMC公司 2024-08-27 CN disclosed
CN-118459362-A N-aryl-2- (2-hydroxybenzyloxy) acetamides, preparation method and application thereof 湖南科技大学 2024-08-09 CN disclosed
WO-1996011894-A1 PROCESS FOR SEPARATING ENANTIOMERS FROM A RACEMIC MIXTURE AKZO NOBEL N.V. (NL) 1996-04-25 WO disclosed
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed
US-4424348-A METHACRYLONITRILE-B,D-GLUCURONIC ACID Schwimmer, Adolf W. (IL) 1984-01-03 US disclosed
US-4424348-A METHACRYLONITRILE-B,D-GLUCURONIC ACID Schwimmer, Adolf W. (IL) 1984-01-03 US disclosed
US-4337760-A Method for the treatment of tumors with β-glucuronidase activity dependent pharmaceuticals Schwimmer, Adolf (IL) 1982-07-06 US disclosed
WO-1980000791-A1 B-GLUCURONIDASE ACTIVITY AND/OR PH-DEPENDENT PHARMACEUTICALS AND THEIR METHODS OF PRODUCTION AND USE FOR SELECTIVE TREATMENT OF DISEASES SCHWIMMER A (US) 1980-05-01 WO disclosed