SCHEMBL5702015

SCHEMBL5702015

O=C(O)[C@@H]1CCN1Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
GAA P10253 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
MAPT P10636 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NOTUM Q6P988 1/20 0.43
CCR2 P41597 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
SCHEMBL5701943 1.00 S1PR5 (0.46) S1PR5SIGMAR1GAADRD4MEN1
SCHEMBL2032294 0.90 CYP1A2 (0.51) GAANPBWR1MCHR1PDCD1CD274
SCHEMBL1817183 0.90 CYP1A2 (0.51) GAANPBWR1MCHR1PDCD1CD274
SCHEMBL3148407 0.90 CYP1A2 (0.51) GAANPBWR1MCHR1PDCD1CD274
SCHEMBL3713849 0.89 NPBWR1 (0.54) NPBWR1MCHR1PDCD1CD274CCR2
SCHEMBL3713847 0.89 NPBWR1 (0.54) NPBWR1MCHR1PDCD1CD274CCR2
SCHEMBL2771071 0.86 GRM6 (0.54) S1PR5SIGMAR1MEN1KMT2APDCD1
SCHEMBL2771075 0.86 GRM6 (0.54) S1PR5SIGMAR1MEN1KMT2APDCD1
SCHEMBL2771498 0.86 GRM6 (0.54) S1PR5SIGMAR1MEN1KMT2APDCD1
SCHEMBL24976319 0.85 NOTUM (0.43) S1PR5SIGMAR1PDCD1CD274NOTUM

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
EP-0974670-B1 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2006-09-13 EP disclosed
US-6143554-A Process for producing optically active n-substituted azetidine-2 carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-07 US disclosed
EP-0974670-A2 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-26 EP disclosed