SCHEMBL8615201

SCHEMBL8615201

CCCCC(=O)O[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
ALDH1A1 P00352 4/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
NOTUM Q6P988 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR7 P34969 2/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR1A P08908 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
SCHEMBL7607718 1.00 MCHR1 (0.47) MCHR1ALDH1A1CA12CA1CA2
SCHEMBL8685457 0.87 MCHR1 (0.50) MCHR1ALDH1A1DRD2DRD3NOTUM
SCHEMBL8661980 0.85 ALDH1A1 (0.48) MCHR1ALDH1A1CA12CA1CA2
SCHEMBL6203746 0.82 NOTUM (0.51) MCHR1ALDH1A1CA12CA1CA2
SCHEMBL7613749 0.81 MCHR1 (0.50) MCHR1ALDH1A1CA12CA1CA2
SCHEMBL8096814 0.79 CA12 (0.47) MCHR1ALDH1A1CA12CA1CA2
SCHEMBL8103747 0.79 MCHR1 (0.48) MCHR1ALDH1A1CA12CA1CA2
SCHEMBL8089857 0.78 NPSR1 (0.47) MCHR1CA12CA1CA2CA9
SCHEMBL5827041 0.76 CA12 (0.53) MCHR1CA12CA1CA2CA9
SCHEMBL1010136 0.75 ALDH1A1 (0.55) MCHR1ALDH1A1CA12CA1CA2

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-A1 PREPARATION OF CHIRAL 3-HYDROXY-2-PYRROLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1998-09-16 EP disclosed
WO-1997019920-A1 PREPARATION OF CHIRAL 3-HYDROXY-2-PYRROLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1997-06-05 WO disclosed