SCHEMBL5212545

SCHEMBL5212545

[CH2]Cc1cnn(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
PDE8B O95263 1/20 0.36
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.33
ABL1 P00519 2/20 0.33
RIN1 Q13671 2/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PIK3CD O00329 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1161159 0.81 ACHE (0.42) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL7992626 0.79 ACHE (0.41) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL21303995 0.79 ACHE (0.41) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL12026627 0.79 ACHE (0.44) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL17825123 0.79 ACHE (0.41) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL27672079 0.79 ACHE (0.44) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL1106841 0.79 ACHE (0.41) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL21743170 0.79 GABRA1 (0.50) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL20245449 0.79 ACHE (0.41) ACHEPDE8BMAPTKMT2AABL1
SCHEMBL13181031 0.78 ACHE (0.40) ACHEPDE8BMAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP disclosed
US-6777428-B1 INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS ELI LILLY AND COMPANY 2004-08-17 US disclosed
CN-1149195-C 5-HTIF agonists 2004-05-12 CN disclosed
CN-1340045-A 5-HTIF agonists LILLY CO ELI (US) 2002-03-13 CN disclosed
EP-1153013-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
WO-2000047559-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-08-17 WO disclosed