SCHEMBL2641396

SCHEMBL2641396

Cc1ccccc1N1C[C@@H](C)N(Cc2cccc3ccoc23)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
MMP2 P08253 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
EED O75530 2/20 0.35

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
SCHEMBL3551334 0.72 SLC6A9 (0.44)
SCHEMBL3558414 0.72 SLC6A9 (0.44)
SCHEMBL3556320 0.68 SLC6A9 (0.43)
SCHEMBL3436283 0.66 SLC6A9 (0.53) DRD2
SCHEMBL3436282 0.66 SLC6A9 (0.53) DRD2
SCHEMBL5983985 0.66 MAPT (0.41) HTR1ADRD2MMP2ADAMTS5
SCHEMBL288996 0.62 MAOB (0.46)
SCHEMBL29822798 0.62 MAOB (0.46)
SCHEMBL2610674 0.61 GABRA1 (0.46) EED
SCHEMBL1602646 0.60 EED (0.42) HTR1ADRD2EED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4739230-B2 2011-08-03 JP claimed
JP-2007514745-A 2007-06-07 JP claimed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP claimed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 WO claimed