SCHEMBL22092258

SCHEMBL22092258

CCOC(=O)c1c(C)nn2c(CO[C@H]3CC[C@@H](c4ccccc4)CC3)c(Br)ccc12.Cc1nn2c(CO[C@H]3CC[C@@H](c4ccccc4)CC3)c(Br)ccc2c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.38
HCRTR2 O43614 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALOX5 P09917 1/20 0.35
PLAT P00750 2/20 0.35
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
LMNA P02545 5/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 3/20 0.34
ELANE P08246 2/20 0.34
PDE4B Q07343 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL22092257 1.00 PDE4D (0.38) PDE4DHCRTR2MAPK1MEN1KMT2A
SCHEMBL23922871 0.97 PDE4D (0.40) PDE4DHCRTR2MAPK1MEN1KMT2A
SCHEMBL23922870 0.97 PDE4D (0.40) PDE4DHCRTR2MAPK1MEN1KMT2A
SCHEMBL23922820 0.95 HCRTR2 (0.36) HCRTR2
SCHEMBL23922821 0.95 HCRTR2 (0.36) HCRTR2
SCHEMBL23922957 0.74 HCRTR2 (0.35) HCRTR2
SCHEMBL23922959 0.74 HCRTR2 (0.35) HCRTR2
SCHEMBL7303942 0.64 PDE4D (0.51) PDE4DMAPK1MEN1KMT2ALMNA
SCHEMBL16454124 0.63 PLAT (0.38) PDE4DMEN1KMT2AALOX5PLAT
SCHEMBL18361625 0.61 DRD2 (0.49) HCRTR2KDM4E

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-2020122093-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2020-06-18 WO disclosed