SCHEMBL30167262

SCHEMBL30167262

C=CCC1NCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.59
SLC22A1 O15245 1/20 0.59
OPRM1 P35372 8/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6065276 1.00 PRCP (0.59) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL6066100 0.83 HTR1A (0.40) PRCPSLC22A1ALDH1A1KDM4EMAPT
SCHEMBL28763197 0.82 PRCP (0.58) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL1717271 0.81 PRCP (0.65) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL6673115 0.81 PRCP (0.56) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL3805979 0.79 PRCP (0.51) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL13977536 0.79 PRCP (0.67) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL12878929 0.78 OPRM1 (0.42) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL4340396 0.78 PRCP (0.61) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL23285173 0.77 PRCP (0.53) PRCPSLC22A1GAASMN1; SMN2MAPT

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
CN-115650824-B Chiral diol and preparation method thereof, prepared catalyst and preparation method and application thereof 合肥工业大学 2024-01-23 CN disclosed
CN-115650824-A Chiral diol and preparation method thereof, prepared catalyst, preparation method and application 合肥工业大学 2023-01-31 CN disclosed