SCHEMBL8554695

SCHEMBL8554695

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 3/20 0.50
NOTUM Q6P988 1/20 0.49
MCHR1 Q99705 7/20 0.48
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 2/20 0.45
DHFR P00374 1/20 0.44
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
OPRL1 P41146 1/20 0.41

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
SCHEMBL8787922 0.84 DRD2 (0.50) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL7604476 0.84 NOTUM (0.52) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL8788607 0.84 DRD2 (0.50) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL7608385 0.84 NOTUM (0.52) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL7609591 0.84 NOTUM (0.52) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL14301512 0.82 ROCK2 (0.53) DRD2DRD3KCNH2MCHR1ROCK2
SCHEMBL9273396 0.82 NOTUM (0.59) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL8788725 0.81 CA12 (0.57) DRD2DRD3NOTUM
SCHEMBL6507548 0.81 ROCK2 (0.53) DRD2DRD3KCNH2NOTUMMCHR1
SCHEMBL7604788 0.81 ROCK2 (0.53) DRD2DRD3KCNH2NOTUMMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
CN-1203599-A Substitued pyrrolidinone, thiazolidinone or oxazolidinone as herbicides ZENECA LTD (GB) 1998-12-30 CN disclosed
EP-0863894-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1998-09-16 EP disclosed
US-5705456-A AZETIDIN-2-ONES ZENECA LIMITED (GB) 1998-01-06 US disclosed
WO-1997020838-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1997-06-12 WO disclosed