SCHEMBL4594753

SCHEMBL4594753

CCOc1cc(CN(c2nc3cc(OCC(=O)NC(C)(C)C)ccc3o2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
SSTR5 P35346 10/20 0.36
KCNH2 Q12809 3/20 0.36
SSTR1 P30872 1/20 0.36
CETP P11597 1/20 0.35
THRB P10828 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TACR1 P25103 1/20 0.34
HTR2A P28223 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4594815 0.90 NPC1 (0.40) MAPTTP53SSTR5KCNH2SSTR1
SCHEMBL4594338 0.89 SSTR1 (0.39) MAPTSSTR5SSTR1THRBTACR1
SCHEMBL4593240 0.87 SSTR5 (0.36) SSTR5KCNH2SSTR1
SCHEMBL4594470 0.86 SSTR5 (0.36) SSTR5KCNH2SSTR1
SCHEMBL4594449 0.85 SSTR5 (0.36) SSTR5KCNH2SSTR1
SCHEMBL4593376 0.84 SSTR5 (0.36) SSTR5KCNH2SSTR1
SCHEMBL4594383 0.84 SSTR5 (0.42) MAPTTP53SSTR5KCNH2SSTR1
SCHEMBL4593947 0.84 SSTR5 (0.35) SSTR5KCNH2SSTR1
SCHEMBL4595027 0.84 SSTR5 (0.47) SSTR5KCNH2SSTR1
SCHEMBL4594566 0.84 HTR2A (0.35) SSTR5KCNH2SSTR1HTR2A

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