SCHEMBL5013449

SCHEMBL5013449

O=C1OC2(CCCCC2)N(C(=O)c2cccc(Cl)c2F)N1Cc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.39
P2RX7 Q99572 1/20 0.35
MCHR1 Q99705 4/20 0.35
OPRL1 P41146 2/20 0.34
FAAH O00519 1/20 0.34
OPRM1 P35372 1/20 0.34
CCR3 P51677 6/20 0.34
CYP2D6 P10635 2/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MMP13 P45452 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL1086445 0.75 P2RX7 (0.40) P2RX7AURKAAURKB
SCHEMBL5012881 0.73 KDM4E (0.37) FAAHMMP13
SCHEMBL5011798 0.71 TSHR (0.41) OPRL1CCR3CYP2D6
SCHEMBL5012778 0.65 TP53 (0.37)
SCHEMBL5015150 0.65 MAPT (0.53)
SCHEMBL1086756 0.64 CCR3 (0.42) OPRL1CCR3MMP13
SCHEMBL5013547 0.61 POLB (0.39) FAAHCYP2D6
SCHEMBL1086201 0.61 P2RX7 (0.40) P2RX7AURKAAURKB
SCHEMBL23793444 0.59 HPGD (0.73) P2RX7
SCHEMBL9693738 0.56 KAT6A (0.47) KAT6AP2RX7BCHE

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-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed