SCHEMBL11536627

SCHEMBL11536627

CC(C)C(C(=O)O)C1NCCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.65
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC22A1 O15245 1/20 0.46
GAA P10253 1/20 0.45
OPRM1 P35372 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GID4 Q8IVV7 1/20 0.40
OPRK1 P41145 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL28209057 0.81 PRCP (0.71) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL29768316 0.80 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL1012767 0.80 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL24091985 0.80 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL31158625 0.80 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL31569038 0.79 PRCP (0.77) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL174975 0.76 PRCP (0.63) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL24845654 0.75 PRCP (0.71) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL4144168 0.75 PRCP (0.71) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL28793413 0.74 PRCP (0.52) PRCPTSHRNPSR1SLC22A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4178293-A Isoindolinyl derivatives ZOECON CORPORATION (US) 1979-12-11 US disclosed