SCHEMBL8612429

SCHEMBL8612429

Cc1nc(C)c(C(O)(c2ccoc2)C(F)(F)F)o1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 2/20 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
SCHEMBL8616886 0.81 RORC (0.37) RORC
SCHEMBL8617307 0.80
SCHEMBL8614890 0.77
SCHEMBL8611761 0.72 MLYCD (0.32)
SCHEMBL8613482 0.72 RORC (0.30) RORC
SCHEMBL9271235 0.72 RORC (0.37) RORC
SCHEMBL8615083 0.69
SCHEMBL8618247 0.66 CYP3A4 (0.32)
SCHEMBL8615929 0.65
SCHEMBL2303949 0.64 FBP1 (0.40) RORCMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US claimed
CN-1126994-A Novel (1-heteroazolyl-1-heterocyclyl) alkane derivatives and their use as neuroprotective agents ASTRA AB (SE) 1996-07-17 CN claimed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP claimed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO claimed
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 US disclosed
CN-1126994-A Novel (1-heteroazolyl-1-heterocyclyl) alkane derivatives and their use as neuroprotective agents ASTRA AB (SE) 1996-07-17 CN disclosed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed