SCHEMBL4594815

SCHEMBL4594815

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SSTR5 P35346 14/20 0.38
KCNH2 Q12809 5/20 0.37
SSTR1 P30872 1/20 0.37
DPP4 P27487 1/20 0.37
TACR1 P25103 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SSTR3 P32745 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL4594329 0.91 SSTR5 (0.42) NPC1POLBRAB9ASSTR5KCNH2
SCHEMBL4593240 0.90 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3
SCHEMBL4594753 0.90 MAPT (0.37) SSTR5KCNH2SSTR1TACR1TP53
SCHEMBL4594470 0.89 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3
SCHEMBL4594449 0.88 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3
SCHEMBL4593639 0.88 SSTR5 (0.39) SSTR5KCNH2SSTR1TACR1
SCHEMBL4593376 0.87 SSTR5 (0.36) SSTR5KCNH2SSTR1SSTR3
SCHEMBL4593947 0.87 SSTR5 (0.35) SSTR5KCNH2SSTR1SSTR3
SCHEMBL4595027 0.87 SSTR5 (0.47) SSTR5KCNH2SSTR1
SCHEMBL4594566 0.86 HTR2A (0.35) SSTR5KCNH2SSTR1SSTR3HTR2A

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