SCHEMBL1680251

SCHEMBL1680251

C=CC[N]C1CCCC1

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
SCHEMBL1680461 0.97 EPHX1 (0.35)
SCHEMBL1680238 0.95
SCHEMBL1680402 0.89
SCHEMBL7423180 0.78
SCHEMBL10827719 0.77 CHRM2 (0.34)
SCHEMBL10828112 0.70
SCHEMBL5608433 0.69 EPHX1 (0.54)
SCHEMBL3258793 0.69
SCHEMBL5111266 0.68 MITF (0.36)
SCHEMBL10607610 0.65 EPHX1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
WO-2023147104-A1 METHODS FOR THE PREPARATION OF ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-4,5-DIHYDRO-1 H-PYRAZOLE-5- CARBOXYLATE FMC CORPORATION (US) 2023-08-03 WO disclosed
US-20230086433-A1 METHODS FOR THE PREPARATION OF ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE FMC IP TECHNOLOGY GMBH (CH) 2023-03-23 US disclosed
EP-4017847-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES OF 3-BROMO-4,5-DIHYDRO-1H-PYRAZOLES FMC CORPORATION (US) 2022-06-29 EP disclosed
WO-2021142344-A1 METHODS FOR THE PREPARATION OF ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE FMC CORPORATION (US) 2021-07-15 WO disclosed
WO-2021034904-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES OF 3-BROMO-4,5-DIHYDRO-1H-PYRAZOLES FMC CORPORATION (US) 2021-02-25 WO disclosed
EP-1417175-B1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE DU PONT (US) 2013-07-24 EP disclosed
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
US-7932395-B2 Substituted 1H-dihydropyrazoles, their preparation and use E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-26 US disclosed
EP-1434485-A1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES SERVING AS PESTICIDES Bayer CropScience GmbH (DE) 2004-07-07 EP disclosed
EP-1417175-A1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-05-12 EP disclosed
EP-1417200-A2 SUBSTITUTED 1H-DIHYDROPYRAZOLES, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-05-12 EP disclosed
US-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED 2004-01-08 US disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US disclosed
WO-2003028459-A1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES SERVING AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-04-10 WO disclosed
WO-2003016283-A1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 WO disclosed
WO-2003016282-A2 SUBSTITUTED 1H-DIHYDROPYRAZOLES, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 WO disclosed