SCHEMBL10119152

SCHEMBL10119152

Bc1cc(C#Cc2cccc(C#Cc3cc(Br)cc(CCNCl)c3)c2)cc(CCN)c1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38

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
SCHEMBL10198719 0.87 TAAR1 (0.38) TAAR1
SCHEMBL85784 0.83 TAAR1 (0.53) TAAR1
SCHEMBL13962406 0.80 TAAR1 (0.36) TAAR1
SCHEMBL10198677 0.75 TAAR1 (0.45) TAAR1
SCHEMBL879554 0.73 TAAR1 (0.34) TAAR1
SCHEMBL10078124 0.73 TAAR1 (0.45) TAAR1
SCHEMBL15805926 0.72 TAAR1 (0.42) TAAR1
SCHEMBL16559047 0.69 TAAR1 (0.33) TAAR1
SCHEMBL880647 0.66 PTGES (0.32) TAAR1
SCHEMBL10079267 0.66 PTGES (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433628-A1 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees Of The University Of Pennsylvania (US) 2012-03-28 EP disclosed