SCHEMBL14743237

SCHEMBL14743237

O=C(O)NC1(c2nc3c([nH]2)CCOc2cc(Br)ccc2-3)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
PPARA Q07869 2/20 0.36
MAOB P27338 2/20 0.32
PIK3CA P42336 2/20 0.31
MAP3K5 Q99683 1/20 0.31
STING1 Q86WV6 1/20 0.30

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
SCHEMBL14743532 0.99 NPY5R (0.36) NPY5RPPARAMAOBPIK3CAMAP3K5
SCHEMBL14743321 0.82 PPARA (0.34) PPARAMAP3K5STING1
SCHEMBL14743496 0.72 TYMS (0.39)
SCHEMBL14743085 0.71 IDO1 (0.39)
SCHEMBL14743079 0.70 IDO1 (0.40)
SCHEMBL14742941 0.69 TYMS (0.40)
SCHEMBL14743293 0.68 IDO1 (0.40)
SCHEMBL13746366 0.68 NPY5R (0.41) NPY5RPPARAMAOBPIK3CAMAP3K5
SCHEMBL14743452 0.68 KDM4E (0.35)
SCHEMBL14742923 0.65 IDO1 (0.43) PPARA

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
WO-2013030750-A1 ANTIVIRAL COMPOUNDS LUPIN LIMITED (IN) 2013-03-07 WO disclosed