SCHEMBL363769

SCHEMBL363769

C#Cc1ccc([C@@](C(C)=O)(c2ccnc(C)c2)c2ccccc2C)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
FFAR1 O14842 1/20 0.32
NR3C2 P08235 1/20 0.30
CRHR1 P34998 1/20 0.30
P2RY14 Q15391 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
SCHEMBL365152 1.00 PTPN1 (0.33) PTPN1FFAR1NR3C2CRHR1P2RY14
SCHEMBL364143 0.88 FFAR1 (0.35) FFAR1NR3C2
SCHEMBL363061 0.88 KCNN4 (0.34) NR3C2
SCHEMBL362081 0.87 HSD17B1 (0.33) NR3C2
SCHEMBL365940 0.87 FFAR1 (0.34) FFAR1
SCHEMBL364217 0.86 GPBAR1 (0.30)
SCHEMBL364193 0.86 NPC1 (0.34) NR3C2
SCHEMBL363549 0.86 NPC1 (0.34) NR3C2
SCHEMBL363211 0.86 NPC1 (0.34) NR3C2
SCHEMBL363702 0.84 NPC1 (0.39)

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed