SCHEMBL5478554

SCHEMBL5478554

O=[C]c1ccc(C(F)(F)F)o1

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
SCHEMBL3197844 0.77 MITF (0.33)
SCHEMBL5081325 0.74 ALDH1A1 (0.33)
SCHEMBL2318440 0.69 CYP1A1 (0.42)
SCHEMBL28249092 0.68 TDP1 (0.39)
SCHEMBL231078 0.64 ALDH1A1 (0.42)
SCHEMBL1812469 0.64
SCHEMBL2307925 0.64
SCHEMBL21894541 0.64 GRM8 (0.31)
SCHEMBL20121971 0.64 MITF (0.32)
SCHEMBL14576550 0.64 SLC6A4 (0.33)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 US claimed
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP claimed
EP-1685101-A1 N-ACYLATED-3-(BENZOYL)-PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO claimed
WO-2005047250-A1 N-ACYLATED-3- (BENZOYL) - PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. ASTRAZENECA AB (SE) 2005-05-26 WO claimed
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US disclosed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP disclosed
EP-1685101-A1 N-ACYLATED-3-(BENZOYL)-PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. AstraZeneca AB (SE) 2006-08-02 EP disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO disclosed
WO-2005047250-A1 N-ACYLATED-3- (BENZOYL) - PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. ASTRAZENECA AB (SE) 2005-05-26 WO disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed