SCHEMBL4055974

SCHEMBL4055974

CCOc1cc(CN(c2ncc(OCC(N)=O)cn2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.41
KCNH2 Q12809 3/20 0.40
SSTR3 P32745 1/20 0.40
TACR1 P25103 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL4703721 0.87 SSTR5 (0.43) SSTR5KCNH2SSTR3SLC6A2SLC6A4
SCHEMBL4702314 0.85 TACR1 (0.41) SSTR5KCNH2TACR1SLC6A2SLC6A4
SCHEMBL4700562 0.85 SSTR5 (0.41) SSTR5KCNH2SSTR3SLC6A2SLC6A4
SCHEMBL4702988 0.84 SSTR5 (0.40) SSTR5KCNH2SSTR3SLC6A2SLC6A4
SCHEMBL4594815 0.83 NPC1 (0.40) SSTR5KCNH2SSTR3TACR1
SCHEMBL3979077 0.78 SSTR5 (0.40) SSTR5KCNH2SSTR3
SCHEMBL3979380 0.78 SSTR5 (0.41) SSTR5KCNH2SSTR3
SCHEMBL3974394 0.78 SSTR5 (0.40) SSTR5KCNH2SSTR3
SCHEMBL3995784 0.78 SSTR5 (0.45) SSTR5KCNH2SSTR3SLC6A2SLC6A4
SCHEMBL3978569 0.77 SSTR5 (0.45) SSTR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed