SCHEMBL12761074

SCHEMBL12761074

CC(NC(=O)CCC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1)C1C=CCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ LHCGR P22888 13/20 0.49
▸ CNR1 P21554 1/20 0.43
▸ HHAT Q5VTY9 1/20 0.42

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
SCHEMBL2306784 0.81 MAPK1 (0.51) MAPK1NPSR1LHCGRHHAT
SCHEMBL2305817 0.78 MAPK1 (0.64) MAPK1NPSR1LHCGRHHAT
SCHEMBL3365428 0.77 LHCGR (0.63) MAPK1NPSR1LHCGRHHAT
SCHEMBL2312117 0.77 MAPK1 (0.57) MAPK1NPSR1LHCGRHHAT
SCHEMBL3365920 0.76 MAPK1 (0.66) MAPK1NPSR1LHCGRHHAT
SCHEMBL2308119 0.75 LHCGR (0.63) MAPK1NPSR1LHCGR
SCHEMBL2307799 0.75 LHCGR (0.74) MAPK1NPSR1LHCGRHHAT
SCHEMBL2304864 0.74 MAPK1 (0.62) MAPK1NPSR1LHCGRHHAT
SCHEMBL2304938 0.74 MAPK1 (0.54) MAPK1NPSR1LHCGRHHAT
SCHEMBL3366264 0.74 LHCGR (0.55) MAPK1NPSR1LHCGRHHAT

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
EP-2350093-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENOPYRIDINES AS KCNQ2/3 MODULATORS FOR TREATING PAIN, EPILEPSY AND URINARY INCONTINENCE GRUENENTHAL GMBH (DE) 2012-10-03 — — EP claimed
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