SCHEMBL9056777

SCHEMBL9056777

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL27262314 0.87 OPRM1 (0.32) OPRM1
SCHEMBL27262316 0.87 OPRM1 (0.32) OPRM1
SCHEMBL10484687 0.76 L3MBTL1 (0.33) L3MBTL1OPRM1OPRL1MEN1KMT2A
SCHEMBL11892711 0.73 L3MBTL1 (0.36) L3MBTL1OPRM1OPRL1MEN1KMT2A
SCHEMBL9052242 0.71 L3MBTL1 (0.35) L3MBTL1MEN1KMT2ATDP1
SCHEMBL10882735 0.69 MME (0.32)
SCHEMBL12224198 0.68 L3MBTL1 (0.39) L3MBTL1OPRM1OPRL1MEN1KMT2A
SCHEMBL11603642 0.68 ACE (0.36)
SCHEMBL4326048 0.68 ACE (0.36)
SCHEMBL14023905 0.68 L3MBTL1 (0.33) L3MBTL1MEN1KMT2ATDP1

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