SCHEMBL28209057

SCHEMBL28209057

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.71
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SLC22A1 O15245 1/20 0.45
GAA P10253 1/20 0.45
OPRM1 P35372 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.43
GID4 Q8IVV7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL174975 0.85 PRCP (0.63) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL31158625 0.83 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL29768316 0.83 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL24091985 0.83 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL1012767 0.83 PRCP (1.00) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL31569038 0.82 PRCP (0.77) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL11536627 0.81 PRCP (0.65) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL24845654 0.78 PRCP (0.71) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL4144168 0.78 PRCP (0.71) PRCPTSHRNPSR1SLC22A1GAA
SCHEMBL9533138 0.76 PRCP (0.73) 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
CN-104428288-B Gpr17 receptor modulators 伊泰莲娜多发性硬化症基金会—IMF非营利组织 2018-03-13 CN disclosed