SCHEMBL8296808

SCHEMBL8296808

NCCNC(=O)CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.59
TACR2 P21452 2/20 0.46
NPY5R Q15761 2/20 0.45
FPR2 P25090 1/20 0.45
MAPK1 P28482 1/20 0.45
RNF4 P78317 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL8297639 0.89 ROCK2 (0.54) LTA4HFPR2ROCK2ROCK1
SCHEMBL8295559 0.89 ROCK2 (0.54) LTA4HFPR2ROCK2ROCK1
SCHEMBL14519537 0.89 ROCK2 (0.54) LTA4HFPR2ROCK2ROCK1
SCHEMBL5406573 0.85 MAPK1 (0.52) LTA4HNPY5RFPR2MAPK1CYP2C9
SCHEMBL5406565 0.85 MAPK1 (0.52) LTA4HNPY5RFPR2MAPK1CYP2C9
SCHEMBL14519547 0.85 TACR2 (0.54) TACR2
SCHEMBL8296134 0.85 TACR2 (0.54) TACR2
SCHEMBL5406639 0.85 LTA4H (0.44) LTA4HTACR2NPY5RFPR2MAPK1
SCHEMBL5406645 0.85 LTA4H (0.44) LTA4HTACR2NPY5RFPR2MAPK1
SCHEMBL14519538 0.82 ROCK2 (0.52) FPR2ROCK2ROCK1

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
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed