SCHEMBL1669257

SCHEMBL1669257

NCc1cccc(C2CCN(C(=O)c3cccc4cc5c(cc34)OB(c3c[c]c(N4CCC(c6cccc(CN)c6)CC4)cc3)O5)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 15/20 0.46

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
SCHEMBL13835658 0.89 TPSAB1 (0.51) TPSAB1
SCHEMBL1669959 0.87 TPSAB1 (0.51) TPSAB1
SCHEMBL1669316 0.86 TPSAB1 (0.47) TPSAB1
SCHEMBL13836135 0.84 TPSAB1 (0.48) TPSAB1
SCHEMBL13836096 0.83 TPSAB1 (0.48) TPSAB1
SCHEMBL1671662 0.76 TPSAB1 (0.44) TPSAB1
SCHEMBL1671665 0.76 TPSAB1 (0.44) TPSAB1
SCHEMBL1668582 0.75 TPSAB1 (0.60) TPSAB1
SCHEMBL1668745 0.74 TPSAB1 (0.56) TPSAB1
SCHEMBL15788523 0.73 TPSAB1 (0.57) TPSAB1

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
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed