SCHEMBL17518655

SCHEMBL17518655

COC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
SLC6A3 Q01959 4/20 0.47
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
HSD11B1 P28845 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL1105066 1.00 POLB (0.53) POLBSLC6A3KCNQ3KCNQ2KCNQ4
SCHEMBL18628997 1.00 POLB (0.53) POLBSLC6A3KCNQ3KCNQ2KCNQ4
SCHEMBL34462074 1.00 POLB (0.53) POLBSLC6A3KCNQ3KCNQ2KCNQ4
SCHEMBL9967101 0.89 CHRM2 (0.42) POLBSLC6A3SLC6A4
SCHEMBL18913409 0.89 CHRM2 (0.42) POLBSLC6A3SLC6A4
SCHEMBL5422531 0.89 CHRM2 (0.42) POLBSLC6A3SLC6A4
Hydrochloric Acid SCHEMBL4386858 0.88 SLC6A3 (0.41) POLBSLC6A3SLC6A4
SCHEMBL17243890 0.87 CHRM2 (0.46) SLC6A3TSHRMEN1KMT2A
SCHEMBL7647666 0.83 POLB (0.52) POLBKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL2515949 0.83 POLB (0.52) POLBKCNQ3KCNQ2KCNQ4KCNQ5

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-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 WO disclosed