SCHEMBL8788912

SCHEMBL8788912

CN(C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
MCHR1 Q99705 4/20 0.45
CCR2 P41597 2/20 0.44
NOTUM Q6P988 1/20 0.43
ROCK1 Q13464 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
KCNH2 Q12809 3/20 0.43
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
LIPE Q05469 1/20 0.39
OPRL1 P41146 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL8552408 0.82 MCHR1 (0.47) ROCK2MCHR1CCR2NOTUMROCK1
SCHEMBL8595364 0.81 MCHR1 (0.47) ROCK2MCHR1CCR2NOTUMROCK1
SCHEMBL8552381 0.81 MCHR1 (0.47) ROCK2MCHR1CCR2NOTUMROCK1
SCHEMBL9272294 0.81 MCHR1 (0.41) ROCK2MCHR1CCR2NOTUMROCK1
SCHEMBL7608380 0.81 ROCK2 (0.53) ROCK2MCHR1NOTUMROCK1HDAC6
SCHEMBL7604788 0.81 ROCK2 (0.53) ROCK2MCHR1NOTUMROCK1HDAC6
SCHEMBL6507548 0.81 ROCK2 (0.53) ROCK2MCHR1NOTUMROCK1HDAC6
SCHEMBL8554800 0.80 MCHR1 (0.46) ROCK2MCHR1CCR2NOTUMROCK1
SCHEMBL7610426 0.78 MCHR1 (0.45) ROCK2MCHR1NOTUMROCK1HDAC6
SCHEMBL7609608 0.78 MCHR1 (0.45) ROCK2MCHR1NOTUMROCK1HDAC6

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-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed