SCHEMBL22683370

SCHEMBL22683370

CN(c1ccc(C2CCOCC2)cc1)c1ccc2c(c1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.47
KDM6B O15054 3/20 0.38
HTR1D P28221 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
HPGD P15428 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FAAH O00519 1/20 0.32
SLC18A3 Q16572 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MGLL Q99685 1/20 0.31
KDM1A O60341 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
SCHEMBL22682056 0.97 KDM4C (0.47) KDM4CKDM6BHTR1DRXRARXRB
SCHEMBL22682112 0.90 KDM4C (0.43) KDM4CKDM6BRXRARXRBRXRG
SCHEMBL22682242 0.87 KDM4C (0.43) KDM4CKDM6BRXRARXRBRXRG
SCHEMBL22681745 0.84 KDM4C (0.45) KDM4CKDM6BHTR1DKCNH2
SCHEMBL22744420 0.83 LSS (0.44) KDM4CRXRARXRBRXRGSLC18A3
SCHEMBL23917459 0.77 KDM4C (0.39) KDM4CHTR1DHPGDKCNH2HRH3
SCHEMBL22682835 0.77 KDM4C (0.43) KDM4CKDM6BHTR1DKCNH2
SCHEMBL22681906 0.76 KDM4C (0.45) KDM4CKDM6BSMN1; SMN2
SCHEMBL22681798 0.75 RXRA (0.43) KDM4CKDM6BRXRARXRBRXRG
SCHEMBL22681929 0.74 RXRA (0.43) KDM4CRXRARXRBRXRGHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed