SCHEMBL27595403

SCHEMBL27595403

O=C(O)C1CNCCO1.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 9/20 0.47
REN P00797 2/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
CTSC P53634 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
SCHEMBL337118 0.98
SCHEMBL7400413 0.98
SCHEMBL8164385 0.98
Hydrochloric Acid SCHEMBL16095751 0.96 SSTR4 (0.47) SSTR4RENSLC6A1SLC6A11TSHR
Hydrochloric Acid SCHEMBL1609138 0.96 SSTR4 (0.47) SSTR4RENSLC6A1SLC6A11TSHR
Hydrochloric Acid SCHEMBL16094440 0.96 SSTR4 (0.47) SSTR4RENSLC6A1SLC6A11TSHR
Trifluoroacetic Acid SCHEMBL19551067 0.87 SSTR4 (0.46) SSTR4CTSC
SCHEMBL24502684 0.85 SLC6A1 (0.45) SSTR4SLC6A1SLC6A11TSHRLMNA
SCHEMBL30194780 0.85 SLC6A1 (0.45) SSTR4SLC6A1SLC6A11TSHRLMNA
SCHEMBL30987164 0.83 SLC6A1 (0.44) SSTR4SLC6A1SLC6A11TSHRLMNA

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
CN-1642917-A Non-peptide GnRH antagonists FERRING BV (NL) 2005-07-20 CN disclosed