SCHEMBL13190815

SCHEMBL13190815

C1=CCCC(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)=C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.33

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
SCHEMBL18872362 0.96 SIGMAR1 (0.34) SIGMAR1
SCHEMBL10029773 0.96 SIGMAR1 (0.34) SIGMAR1
SCHEMBL13821963 0.94 SIGMAR1 (0.35) SIGMAR1
SCHEMBL13777132 0.92 SIGMAR1 (0.30) SIGMAR1
SCHEMBL21236751 0.90 SIGMAR1 (0.38) SIGMAR1
SCHEMBL16775507 0.88 SIGMAR1 (0.35) SIGMAR1
SCHEMBL19595665 0.88 CA12 (0.34)
SCHEMBL12645843 0.87 SIGMAR1 (0.38) SIGMAR1
SCHEMBL25681198 0.86
SCHEMBL23917293 0.85 ALDH1A1 (0.37)

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
US-20120273736-A1 COMPOSITIONS COMPRISING POLYMERIC BINDERS MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
US-20120273736-A1 COMPOSITIONS COMPRISING POLYMERIC BINDERS MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
EP-2224510-A1 ORGANIC ELECTROLUMINESCENT DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-09-01 EP disclosed