SCHEMBL4267976

SCHEMBL4267976

CC(NC(=O)ON1CCC2(CC1)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)O2)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
DRD4 P21917 1/20 0.39
PTGER4 P35408 4/20 0.37
ACKR3 P25106 1/20 0.37
CLPP Q16740 1/20 0.36
CASR P41180 4/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HDAC3 O15379 1/20 0.35
CYP2C9 P11712 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4263514 0.88 HSD11B1 (0.40) HSD11B1LMNAGAAHDAC3CYP2C9
SCHEMBL4263224 0.79 CTSK (0.41) HSD11B1
SCHEMBL5013452 0.79 METAP2 (0.37) DRD4PTGER4CASRLMNAGAA
SCHEMBL4262148 0.77 PNKP (0.39) HSD11B1LMNA
SCHEMBL12184423 0.75 HIF1A (0.46) HDAC1
SCHEMBL12184868 0.75 DRD4 (0.47) DRD4CLPP
SCHEMBL4257406 0.72 HDAC6 (0.43) LMNAHDAC6
SCHEMBL12184355 0.72 KCNH2 (0.47) LMNA
SCHEMBL12184599 0.71 HSD11B1 (0.45) HSD11B1PTGER4HDAC1
SCHEMBL12184992 0.71 ALDH1A1 (0.54) GAAHDAC3HDAC1HDAC6

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-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed