SCHEMBL8977178

SCHEMBL8977178

CCCCCCCCCOC(=O)CNCCCN.O=C(O)CNCS

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
HTR2C P28335 1/20 0.42
EPHX2 P34913 2/20 0.40
FAAH O00519 2/20 0.40
LTA4H P09960 2/20 0.39
TLR2 O60603 2/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
ACHE P22303 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL432610 0.88 NAAA (0.53) NAAAHTR2CFAAHLTA4HRAD52
SCHEMBL9062762 0.82 NAAA (0.49) NAAAHTR2CFAAHLTA4HTLR2
SCHEMBL11221404 0.82 NAAA (0.56) NAAAHTR2CFAAHRAD52NPSR1
SCHEMBL11232005 0.82 NAAA (0.56) NAAAHTR2CFAAHRAD52NPSR1
SCHEMBL11227515 0.82 NAAA (0.56) NAAAHTR2CFAAHRAD52NPSR1
SCHEMBL8927695 0.82 HTR2C (0.39) NAAAHTR2CEPHX2FAAHLTA4H
SCHEMBL5497225 0.81 NAAA (0.58) NAAAHTR2CEPHX2FAAHTLR2
SCHEMBL11184933 0.81 NAAA (0.58) NAAAHTR2CEPHX2FAAHTLR2
SCHEMBL11198736 0.79 NAAA (0.55) NAAAHTR2CEPHX2FAAHTLR2
SCHEMBL6684492 0.79 NAAA (0.60) NAAAHTR2CFAAHLTA4HRAD52

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-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed