SCHEMBL3400743

SCHEMBL3400743

NC1CC[N]C(CC(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 7/20 0.42
SLC6A13 Q9NSD5 6/20 0.42
SLC6A11 P48066 6/20 0.42
GABRA5 P31644 6/20 0.37
GABRB2 P47870 6/20 0.37
GABRA1 P14867 5/20 0.37
GABRR1 P24046 5/20 0.37
GABRA4 P48169 5/20 0.37
SLC6A1 P30531 3/20 0.33
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9704713 0.71
SCHEMBL1414189 0.69 SLC6A12 (0.36) SLC6A12SLC6A13SLC6A11GABRA5GABRB2
SCHEMBL2916000 0.69 SLC6A12 (0.36) SLC6A12SLC6A13SLC6A11GABRA5GABRB2
SCHEMBL2468899 0.69 GABRR1 (0.36) GABRR1
SCHEMBL20249072 0.67 SLC6A12 (0.48) SLC6A12SLC6A13SLC6A11GABRA5GABRB2
SCHEMBL29955739 0.67 SLC6A12 (0.48) SLC6A12SLC6A13SLC6A11GABRA5GABRB2
SCHEMBL15514904 0.67 SLC6A12 (0.48) SLC6A12SLC6A13SLC6A11GABRA5GABRB2
SCHEMBL29956796 0.67 SLC6A12 (0.48) SLC6A12SLC6A13SLC6A11GABRA5GABRB2
SCHEMBL13834830 0.67 SLC6A12 (0.48) SLC6A12SLC6A13SLC6A11GABRA5GABRB2
Hydrochloric Acid SCHEMBL26086954 0.65 SLC6A12 (0.50) SLC6A12SLC6A13SLC6A11GABRA5GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024063648-A1 Platform and scaffold for FAP targeting agents ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2024-03-28 WO disclosed
EP-2252628-A1 BOMBESIN ANALOG PEPTIDE ANTAGONIST CONJUGATES Universitätsspital Basel (CH) 2010-11-24 EP disclosed
WO-2009109332-A1 BOMBESIN ANALOG PEPTIDE ANTAGONIST CONJUGATES UNIVERSITÄTSSPITAL BERN (CH) 2009-09-11 WO disclosed