SCHEMBL131833

SCHEMBL131833

[CH2]CCN(CCC)CCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
HTR1A P08908 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL21065764 0.97 HRH3 (0.32) HRH3DRD2DRD3HTR1ACA12
SCHEMBL3373345 0.89 CA12 (0.34) CA12CA9CA1
SCHEMBL736317 0.88
SCHEMBL27752324 0.86 HRH3 (0.36) HRH3DRD2DRD3HTR1ACA12
SCHEMBL28275916 0.85 KCNH2 (0.31) HRH3
SCHEMBL27752329 0.82 HRH3 (0.38) HRH3DRD2DRD3HTR1ACA12
SCHEMBL2729745 0.82 HRH3 (0.41) HRH3DRD2DRD3HTR1ACA12
SCHEMBL5358 0.82 HRH3 (0.41) HRH3DRD2DRD3HTR1ACA12
SCHEMBL21224483 0.82 HRH3 (0.41) HRH3DRD2DRD3HTR1ACA12
SCHEMBL128596 0.81 CA12 (0.37) CA12CA9TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024087983-A1 SILICON-CONTAINING POLYMER, TREATMENT AGENT PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 北京马普新材料有限公司 2024-05-02 WO claimed
WO-2024074098-A1 ORGANOSILICON POLYMER AND USE THEREOF 北京马普新材料有限公司 2024-04-11 WO claimed
CN-117265875-A Treating agent and fiber fabric or coating 北京马普新材料有限公司 2023-12-22 CN claimed
CN-117003942-A Copolymer for paper product treatment, treatment method and product 北京马普新材料有限公司 2023-11-07 CN claimed
CN-116948098-A Copolymer, composition and application thereof 北京马普新材料有限公司 2023-10-27 CN claimed
CN-116874664-A Copolymer for paper product treatment, treatment method and product 北京马普新材料有限公司 2023-10-13 CN claimed
CN-116874665-A Copolymer for paper products, treating agent and product 北京马普新材料有限公司 2023-10-13 CN claimed
CN-116789898-A Copolymer, composition and application thereof 北京马普新材料有限公司 2023-09-22 CN claimed
CN-116789905-A Organosilicon polymer and application thereof 北京马普新材料有限公司 2023-09-22 CN claimed
CN-116789903-A Organosilicon polymer and application thereof 北京马普新材料有限公司 2023-09-22 CN claimed
EP-0512349-B1 Benzothiophene-2-carboxamide-S,S-dioxides BAYER AG (DE) 1996-02-14 EP claimed
EP-0670838-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO 4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1995-09-13 EP claimed
WO-1994027986-A1 CARBOXYLIC ACID AMIDE BENZOTHIOPHENE-S-OXIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-12-08 WO claimed
WO-1994012500-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO[4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1994-06-09 WO claimed
EP-0512349-A1 Benzothiophene-2-carboxamide-S,S-dioxides BAYER AG (DE) 1992-11-11 EP claimed
EP-0433805-A1 N-Substituted 3-cyano-4-phenyl-pyrroles BAYER AG (DE) 1991-06-26 EP claimed
US-4914122-A CONTROLLING PLANT DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US claimed
EP-0327977-A1 1-Aminomethyl-3-(2,4-difluor-3-chlorphenyl)-4-cyanopyrroles BAYER AG (DE) 1989-08-16 EP claimed
US-4656256-A Benzoazoresorcinol dyes containing a quaternized aminoalkylene oxycarbonyl group BASF AKTIENGESELLSCHAFT (DE) 1987-04-07 US claimed
US-3933800-A O-SUBSTITUTED OXIMES, MICROBIOCIDES GRUPPO LEPETIT S.P.A. (IT) 1976-01-20 US claimed