SCHEMBL19928149

SCHEMBL19928149

NC1CCC(C2CCC([C@@H]3CCC(CC(=O)O)C3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.42
SLC6A11 P48066 5/20 0.42
SLC6A13 Q9NSD5 5/20 0.42
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD11B1 P28845 1/20 0.35
ADCY5 O95622 1/20 0.33
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3542704 0.90 ANPEP (0.47) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL3542706 0.90 ANPEP (0.47) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL24317689 0.86 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL1224648 0.84 ALOX5 (0.42) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL29955739 0.84 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL20249072 0.84 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL29956796 0.84 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL13834830 0.84 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL15514904 0.84 SLC6A12 (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL200897 0.83 ANPEP (0.52) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5

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
US-9908927-B2 Single-chain trail-receptor agonist proteins ABBVIE INC. (US) 2018-03-06 US disclosed