SCHEMBL22491564

SCHEMBL22491564

COc1cccc([C@@](O)(c2ccc(F)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 4/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.47
ALOX12 P18054 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TGFBR1 P36897 1/20 0.47
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR3 P51677 1/20 0.45
STS P08842 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL22773364 1.00 NPY2R (0.55) NPY2RMEN1KMT2ALMNAALOX12
SCHEMBL29734657 1.00 NPY2R (0.55) NPY2RMEN1KMT2ALMNAALOX12
SCHEMBL21381907 0.88 NPY2R (0.59) NPY2RMEN1KMT2ALMNAALOX12
SCHEMBL22773363 0.88 NPY2R (0.59) NPY2RMEN1KMT2ALMNAALOX12
SCHEMBL22773246 0.87 MEN1 (0.60) NPY2RMEN1KMT2AALDH1A1
SCHEMBL22491552 0.87 MEN1 (0.60) NPY2RMEN1KMT2AALDH1A1
SCHEMBL20602790 0.87 KMT2A (0.56) NPY2RMEN1KMT2A
SCHEMBL30567975 0.86 PDE4B (0.47) NPY2RMEN1KMT2ALMNAALDH1A1
SCHEMBL22773307 0.86 PDE4B (0.47) NPY2RMEN1KMT2ALMNAALDH1A1
SCHEMBL22773351 0.85 NPY2R (0.44) NPY2RMEN1KMT2AEPHX2

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-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP disclosed