SCHEMBL9056774

SCHEMBL9056774

CCCC(=O)N1CCC(S)[C@@]1(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
EPHX1 P07099 2/20 0.32
EPHX2 P34913 2/20 0.32
POLB P06746 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
SCHEMBL9052232 0.68 GNAI3 (0.35) POLB
SCHEMBL5016951 0.65
SCHEMBL9056777 0.62 L3MBTL1 (0.31)
SCHEMBL11892711 0.62 L3MBTL1 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15134191 0.62 GRM5 (0.36) POLB
SCHEMBL10484687 0.62 L3MBTL1 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28325348 0.61 POLB (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4454942 0.61 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12608295 0.61 CNR2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12224198 0.61 L3MBTL1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-1996002241-A9 USE OF NITROGEN OXIDE SPECIES AND ADDUCTS TO INHIBIT SKELETAL MUSCLE CONTRACTION 1996-02-29 WO claimed
WO-1996003139-A1 USE OF NITRIC OXIDE OR NITRIC OXIDE ADDUCTS TO PRESERVE PLATELETS DUKE UNIVERSITY (US) 1996-02-08 WO claimed
WO-1996002241-A1 USE OF NITROGEN OXIDE SPECIES AND ADDUCTS TO INHIBIT SKELETAL MUSCLE CONTRACTION DUKE UNIVERSITY (US) 1996-02-01 WO claimed