SCHEMBL13036626

SCHEMBL13036626

Bc1cc(C(=O)N2CCOc3ccncc32)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.67
SLC22A6 Q4U2R8 1/20 0.67
SLC22A8 Q8TCC7 1/20 0.67
KCNH2 Q12809 2/20 0.44
POLB P06746 1/20 0.44
NR3C2 P08235 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CTSD P07339 1/20 0.38
SCD5 Q86SK9 1/20 0.36
CYP11B2 P19099 1/20 0.36
NOTUM Q6P988 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FAAH O00519 1/20 0.34
NAAA Q02083 1/20 0.34
IDO1 P14902 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
SCHEMBL13036486 0.88 SLC22A12 (0.77) SLC22A12SLC22A6SLC22A8KCNH2POLB
SCHEMBL1190488 0.87 SLC22A12 (0.79) SLC22A12SLC22A6SLC22A8KCNH2POLB
SCHEMBL1191676 0.86 SLC22A12 (0.67) SLC22A12SLC22A6SLC22A8KCNH2POLB
SCHEMBL1190085 0.86 SLC22A12 (0.67) SLC22A12SLC22A6SLC22A8KCNH2POLB
Bromide SCHEMBL1190077 0.86 SLC22A12 (0.77) SLC22A12SLC22A6SLC22A8KCNH2POLB
Bromide SCHEMBL1190540 0.85 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8KCNH2POLB
SCHEMBL13037469 0.85 SLC22A12 (0.87) SLC22A12SLC22A6SLC22A8KCNH2POLB
SCHEMBL1191088 0.84 SLC22A12 (0.63) SLC22A12SLC22A6SLC22A8KCNH2POLB
SCHEMBL1190582 0.83 SLC22A12 (0.71) SLC22A12SLC22A6SLC22A8KCNH2POLB
SCHEMBL1191479 0.82 SLC22A12 (0.61) SLC22A12SLC22A6SLC22A8KCNH2POLB

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-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP disclosed