SCHEMBL27414923

SCHEMBL27414923

N=C(N)NCCC[C@@H]([C]=O)NC(=O)[C@H]1CCCN1C(=O)C1NCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.59
F10 P00742 2/20 0.59
PLG P00747 2/20 0.59
PRSS1 P07477 2/20 0.59
OPRM1 P35372 5/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7102702 0.88 F2 (0.60) F2F10PLGPRSS1TSHR
Sulfuric Acid SCHEMBL7107439 0.85 F2 (0.73) F2F10PLGPRSS1OPRM1
SCHEMBL2182404 0.77 F2 (0.47) F2OPRM1
SCHEMBL5597620 0.76 OPRM1 (0.49) F2OPRM1
SCHEMBL5597616 0.76 OPRM1 (0.49) F2OPRM1
SCHEMBL2192304 0.76 OPRM1 (0.49) F2OPRM1
SCHEMBL7418654 0.76 OPRM1 (0.49) F2OPRM1
SCHEMBL11009027 0.76 CTRB1 (0.55) TSHRNPSR1
SCHEMBL10590044 0.75 F2 (0.37) F2NPSR1
SCHEMBL9280512 0.74 XIAP (0.48) F2PRSS1OPRM1

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-1092780-A Reduce and suppress the method for local asphyxia and reperfusion injury LILLY CO ELI (US) 1994-09-28 CN disclosed