SCHEMBL13534656

SCHEMBL13534656

Cc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.51
KCNH2 Q12809 1/20 0.51
GPR183 P32249 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HRH3 Q9Y5N1 3/20 0.40
KMT2A Q03164 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
SCHEMBL13534655 0.99 GPR119 (0.51) GPR119KCNH2GPR183NPC1RAB9A
SCHEMBL2390335 0.93 GPR119 (0.48) GPR119KCNH2GPR183NPC1RAB9A
SCHEMBL2388880 0.92 GPR119 (0.47) GPR119KCNH2GPR183KMT2A
SCHEMBL2387935 0.92 GPR119 (0.47) GPR119KCNH2GPR183KMT2A
SCHEMBL2387931 0.92 GPR119 (0.47) GPR119KCNH2GPR183KMT2A
SCHEMBL13534644 0.91 GPR119 (0.58) GPR119KCNH2GPR183HRH3
SCHEMBL1922600 0.90 GPR119 (0.52) GPR119KCNH2GPR183
SCHEMBL2388962 0.90 GPR119 (0.46) GPR119KCNH2GPR183NPC1RAB9A
SCHEMBL2388969 0.90 GPR119 (0.46) GPR119KCNH2GPR183NPC1RAB9A
SCHEMBL2399814 0.89 GPR119 (0.51) GPR119KCNH2GPR183

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
WO-2010004347-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 WO disclosed