SCHEMBL4594422

SCHEMBL4594422

COc1ccc(CN(c2nc3ccc(C(=O)O)cc3o2)C2CCNCC2)cc1OCCF

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.42
SSTR5 P35346 2/20 0.40
PDE10A Q9Y233 3/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL4594243 0.93 REN (0.41) RENSSTR5PDE10APDE3BPDE3A
SCHEMBL4594636 0.91 MAPT (0.46) RENSSTR5NPC1RAB9AMAPT
SCHEMBL4594225 0.90 SSTR5 (0.40) RENSSTR5NPC1RAB9AMAPT
SCHEMBL4594274 0.85 REN (0.41) RENSSTR5PDE10APDE3BPDE3A
SCHEMBL4594278 0.84 MAPT (0.46) RENSSTR5NPC1RAB9AMAPT
SCHEMBL4593748 0.83 SSTR5 (0.41) RENSSTR5NPC1RAB9AMAPT
SCHEMBL1121565 0.83 SSTR5 (0.45) SSTR5NPC1RAB9AMAPTTP53
SCHEMBL4593649 0.83 SSTR5 (0.46) SSTR5NPC1RAB9AMAPTTP53
SCHEMBL4593723 0.82 SSTR5 (0.55) SSTR5PDE3ANPC1RAB9AMAPT
SCHEMBL4594604 0.82 SSTR5 (0.54) SSTR5NPC1RAB9AMAPTTP53

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
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed