SCHEMBL9327557

SCHEMBL9327557

C=CCN1CCCCCC1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.38
HTR1A P08908 12/20 0.32
DRD2 P14416 10/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CHRM2 P08172 1/20 0.32
ACHE P22303 1/20 0.32
PTGS1 P23219 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRD1 P41143 1/20 0.31

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
SCHEMBL861621 0.98 PRCP (0.36) PRCPHTR1ADRD2ALDH1A1LMNA
SCHEMBL4551362 0.92
Nitric Acid SCHEMBL10592938 0.86 MEN1 (0.32) PRCPALDH1A1LMNA
SCHEMBL8520734 0.75 PRCP (0.36) PRCPHTR1ADRD2ALDH1A1LMNA
SCHEMBL28263001 0.74 PRCP (0.37) PRCP
SCHEMBL45552 0.74 PRCP (0.37) PRCP
SCHEMBL11219569 0.74 POLB (0.37) PRCPDRD2ALDH1A1DRD3
SCHEMBL5898651 0.74 SMN1; SMN2 (0.42) PRCPALDH1A1HTT
SCHEMBL2844780 0.73 PRCP (0.36) PRCPHTR1ADRD2
SCHEMBL3801626 0.73 PRCP (0.36) PRCPHTR1A

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
JP-6092960-A None JP disclosed
JP-H0692960-A PRODUCTION OF BENZYLPHTHALAZINONE DERIVATIVE EEZAI KAGAKU KK 1994-04-05 JP disclosed
JP-H00692960-A 0001-01-01 JP disclosed