SCHEMBL5214033

SCHEMBL5214033

CN1CCN(Cc2ccc(Cl)cc2)C(CC(N)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
FABP6 P51161 1/20 0.39
POLB P06746 1/20 0.39
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39

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
SCHEMBL5195397 0.81 SIGMAR1 (0.41) SIGMAR1
SCHEMBL5194848 0.80 OPRK1 (0.46) SIGMAR1GAAL3MBTL1POLB
SCHEMBL5193908 0.78 LMNA (0.42) GAA
SCHEMBL25154270 0.77 SIGMAR1 (0.59) SIGMAR1
SCHEMBL25154734 0.77 SIGMAR1 (0.59) SIGMAR1
SCHEMBL5191215 0.76 FAAH (0.60)
SCHEMBL26639370 0.75 SMN1; SMN2 (0.33) SIGMAR1L3MBTL1
SCHEMBL5191126 0.75 SMN1; SMN2 (0.48) POLB
SCHEMBL5192001 0.73 SIGMAR1 (0.56) SIGMAR1GAAL3MBTL1POLB
SCHEMBL10681973 0.73 SIGMAR1 (0.55) SIGMAR1GAAPOLB

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
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed