SCHEMBL12440586

SCHEMBL12440586

Cc1ccc(C(I)I)nn1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37

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
SCHEMBL17103235 0.75 APLNR (0.37) APLNR
SCHEMBL29549138 0.74
SCHEMBL310954 0.74
SCHEMBL14600876 0.73 APLNR (0.35) APLNR
SCHEMBL22714782 0.73 APLNR (0.35) APLNR
SCHEMBL12915259 0.73 APLNR (0.40) APLNR
SCHEMBL24724204 0.73 APLNR (0.35) APLNR
SCHEMBL19962262 0.73 APLNR (0.35) APLNR
SCHEMBL17844583 0.73 APLNR (0.35) APLNR
SCHEMBL15806359 0.73 APLNR (0.35) APLNR

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-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed