SCHEMBL3336574

SCHEMBL3336574

N#CC(C#N)(CC(F)(F)F)CC(F)(F)F

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
SCHEMBL2490137 0.83
SCHEMBL2489310 0.75
SCHEMBL28894473 0.73
SCHEMBL2488031 0.71
SCHEMBL2485139 0.71
SCHEMBL18757211 0.69
SCHEMBL2489273 0.68
SCHEMBL3892575 0.65 AR (0.30)
SCHEMBL26874463 0.65
SCHEMBL25287 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303372-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BHAMAS LTD. (BS) 2014-10-09 US disclosed
US-8722887-B2 Sulfonylpyrazole and sulfonylpyrazoline carboxamidine derivatives as 5-HT6 antagonists Abbvie Bahamas, Ltd. (BS) 2014-05-13 US disclosed
EP-2069310-B1 SULFONYLPYRAZOLINE-1-CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-12-14 EP disclosed
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. 2010-06-10 US disclosed
US-7728018-B2 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-01 US disclosed
EP-2069310-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS Solvay Pharmaceuticals B.V. (NL) 2009-06-17 EP disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
WO-2008034863-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-03-27 WO disclosed