SCHEMBL14965404

SCHEMBL14965404

COc1nnccc1[C@@](/C(C)=N\O)(c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1)c1ccccc1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
NPY5R Q15761 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP5 P45974 1/20 0.31
SYK P43405 1/20 0.30
MAPT P10636 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
SCHEMBL14965418 0.91 TP53 (0.35) TP53NPY5RMEN1KMT2AUSP5
SCHEMBL14965556 0.84 TP53 (0.34) TP53NPY5RMEN1KMT2ASYK
SCHEMBL14965174 0.83 TP53 (0.33) TP53NPY5R
SCHEMBL362899 0.80 TLR8 (0.40) TP53NPY5RMEN1KMT2ASYK
SCHEMBL14965192 0.78
SCHEMBL14965937 0.78
SCHEMBL14965704 0.76 HTR2C (0.34)
SCHEMBL364963 0.71 GPBAR1 (0.32)
SCHEMBL14936672 0.71 GPBAR1 (0.44) NPY5RMEN1KMT2ASYK
SCHEMBL14936678 0.71 GPBAR1 (0.44) NPY5RMEN1KMT2ASYK

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-2780330-A1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-09-24 EP disclosed
WO-2013072265-A1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-23 WO disclosed