SCHEMBL2358322

SCHEMBL2358322

Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)c(-n2ccnn2)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 9/20 0.53
HCRTR1 O43613 10/20 0.51
HCRTR2 O43614 9/20 0.51

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
SCHEMBL2356235 0.84 MEN1 (0.49) SORT1HCRTR1
SCHEMBL2358573 0.79 TRPA1 (0.48) SORT1HCRTR1HCRTR2
SCHEMBL2358684 0.76 NPC1 (0.52) HCRTR1HCRTR2
SCHEMBL2357650 0.75 CSF1R (0.48) HCRTR1HCRTR2
SCHEMBL1586336 0.75 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2359300 0.75 BRAF (0.45) HCRTR1HCRTR2
SCHEMBL1587554 0.74 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1587555 0.74 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2356052 0.74 KDM4E (0.45) HCRTR1HCRTR2
SCHEMBL28046546 0.73 HCRTR1 (0.56) HCRTR1HCRTR2

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-2350052-A2 ANTIPROLIFERATIVE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP claimed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed