SCHEMBL7400480

SCHEMBL7400480

O=C1CC=CC12CCNCC2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.32
OPRM1 P35372 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
SCHEMBL14144636 0.71 HSD17B10 (0.33) NEK2
SCHEMBL12004011 0.69
SCHEMBL2604297 0.65 NEK2 (0.32) NEK2OPRM1
SCHEMBL20978035 0.64 OPRM1 (0.31) OPRM1
SCHEMBL9851649 0.62 NEK2 (0.33) NEK2OPRM1
SCHEMBL14829983 0.61 NEK2 (0.36) NEK2
SCHEMBL15057601 0.60 GRIN1 (0.30)
SCHEMBL17113583 0.60 HSD17B10 (0.34) NEK2
SCHEMBL1029904 0.59 OPRM1 (0.41) NEK2OPRM1
SCHEMBL14829982 0.58 NEK2 (0.42) NEK2OPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968288-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-01-20 EP claimed
WO-2014150132-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO claimed
EP-0711292-A1 AZA SPIRO COMPOUNDS ACTING ON THE CHOLINERGIC SYSTEM WITH MUSCARINIC AGONIST ACTIVITY KOSMIN, Gerald, Emmanuel (GB) 1996-05-15 EP disclosed
WO-1995003303-A2 AZA SPIRO COMPOUNDS ACTING ON THE CHOLINERGIC SYSTEM WITH MUSCARINIC AGONIST ACTIVITY STATE OF ISRAEL, REPRESENTED BY THE PRIME MINISTER'S OFFICE, ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 1995-02-02 WO disclosed