SCHEMBL5592604

SCHEMBL5592604

O=C(O)Nc1nc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.62

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
SCHEMBL4889803 0.84 PRKAA2 (0.59) SIGMAR1
SCHEMBL13316886 0.83 SIGMAR1 (0.62) SIGMAR1
SCHEMBL6329318 0.80 SIGMAR1 (0.65) SIGMAR1
SCHEMBL20640361 0.79 ALDH1A1 (0.44) SIGMAR1
SCHEMBL5862113 0.78 SIGMAR1 (1.00) SIGMAR1
SCHEMBL4032289 0.77 SIGMAR1 (0.70) SIGMAR1
SCHEMBL7091986 0.77 SIGMAR1 (0.60) SIGMAR1
SCHEMBL3607138 0.76 SIGMAR1 (0.65) SIGMAR1
SCHEMBL4889804 0.76 MAPKAPK2 (0.60) SIGMAR1
SCHEMBL2425554 0.75 SIGMAR1 (0.78) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO claimed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO disclosed