SCHEMBL22491552

SCHEMBL22491552

CC(C)(C)OC(=O)N1CCC([C@](O)(c2ccccc2)c2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPY2R P49146 10/20 0.58
ALDH1A1 P00352 2/20 0.54
GPR119 Q8TDV5 1/20 0.53
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 1/20 0.49

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
SCHEMBL22773246 1.00 MEN1 (0.60) MEN1KMT2ANPY2RALDH1A1GPR119
SCHEMBL20602790 0.95 KMT2A (0.56) MEN1KMT2ANPY2RGPR119KDM4E
SCHEMBL239883 0.93 NPY2R (0.65) MEN1KMT2ANPY2RALDH1A1GPR119
SCHEMBL3655794 0.91 NPY2R (0.58) MEN1KMT2ANPY2RALDH1A1GPR119
SCHEMBL22773327 0.91 GPR119 (0.55) MEN1KMT2ANPY2RGPR119
SCHEMBL23848259 0.88 MEN1 (0.51) MEN1KMT2AGPR119
SCHEMBL9170860 0.88 KMT2A (0.56) MEN1KMT2AALDH1A1GPR119KDM4E
SCHEMBL22773364 0.87 NPY2R (0.55) MEN1KMT2ANPY2RALDH1A1
SCHEMBL22491564 0.87 NPY2R (0.55) MEN1KMT2ANPY2RALDH1A1
SCHEMBL29734657 0.87 NPY2R (0.55) MEN1KMT2ANPY2RALDH1A1

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