SCHEMBL5988096

SCHEMBL5988096

CN(CC1(OCC#N)C=CC(c2cccc(Br)c2)C=C1)C(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.37
HDAC2 Q92769 1/20 0.37
NPSR1 Q6W5P4 5/20 0.37
HTT P42858 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.36
ADORA1 P30542 2/20 0.36

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
SCHEMBL5987748 0.69 CNR1 (0.38) CNR1CNR2HDAC1HDAC6ALDH1A1
SCHEMBL3972466 0.68 HDAC1 (0.44) CNR1CNR2HDAC1HDAC6ALDH1A1
SCHEMBL3973124 0.63 HTT (0.54) CNR1CNR2HDAC1HDAC6ALDH1A1
SCHEMBL1549393 0.62 MAPT (0.52) CNR2MAPTLMNA
SCHEMBL29426298 0.62 L3MBTL1 (0.69) CNR1CNR2ALDH1A1L3MBTL1MAPK1
SCHEMBL20838611 0.62 L3MBTL1 (0.69) CNR1CNR2ALDH1A1L3MBTL1MAPK1
SCHEMBL3971810 0.62 HDAC1 (0.50) CNR1CNR2HDAC1HDAC6ALDH1A1
SCHEMBL5988386 0.62 NR4A2 (0.39) HDAC1HDAC6ALDH1A1HDAC2NPSR1
SCHEMBL28222415 0.60 LMNA (0.68) CNR1CNR2L3MBTL1MAPK1NPSR1
SCHEMBL17324721 0.60 POLB (0.79) CNR1CNR2ALDH1A1L3MBTL1MAPK1

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-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 WO disclosed