SCHEMBL7608385

SCHEMBL7608385

O=C1[C@@H](O)CCN1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
MCHR1 Q99705 9/20 0.50
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 3/20 0.50
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 2/20 0.48
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
LIPE Q05469 1/20 0.43
FFAR4 Q5NUL3 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
SCHEMBL7604476 1.00 NOTUM (0.52) NOTUMMCHR1DRD2DRD3KCNH2
SCHEMBL7609591 1.00 NOTUM (0.52) NOTUMMCHR1DRD2DRD3KCNH2
SCHEMBL9273396 0.84 NOTUM (0.59) NOTUMMCHR1DRD2DRD3KCNH2
SCHEMBL8787922 0.84 DRD2 (0.50) NOTUMMCHR1DRD2DRD3KCNH2
SCHEMBL8554695 0.84 DRD2 (0.50) NOTUMMCHR1DRD2DRD3KCNH2
SCHEMBL8788607 0.84 DRD2 (0.50) NOTUMMCHR1DRD2DRD3KCNH2
SCHEMBL7610183 0.82 CA12 (0.55) NOTUMDRD2DRD3KCNH2
SCHEMBL7611284 0.82 CA12 (0.55) NOTUMDRD2DRD3KCNH2
SCHEMBL7607804 0.82 CA12 (0.55) NOTUMDRD2DRD3KCNH2
SCHEMBL7607513 0.81 MCHR1 (0.53) NOTUMMCHR1DRD2DRD3KCNH2

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-0863872-B1 PREPARATION OF CHIRAL 3-HYDROXY-2-PYRROLIDINONE DERIVATIVES SYNGENTA LTD (GB) 2002-05-29 EP disclosed
US-5710283-A Preparation of chiral pyrrolidinone derivatives ZENECA LIMITED (GB) 1998-01-20 US disclosed