SCHEMBL28035974

SCHEMBL28035974

CCC(=O)C(c1ccccc1)(C(c1ccccc1)N(C)C)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.49
OPRD1 P41143 2/20 0.49
GRIN2D O15399 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
DRD3 P35462 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CACNA1F O60840 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP2B6 P20813 1/20 0.41
DRD4 P21917 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
MRGPRX2 Q96LB1 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
SCHEMBL18889556 0.74 OPRM1 (0.60) OPRM1OPRD1DRD3MEN1KMT2A
SCHEMBL5486113 0.70 OPRM1 (0.59) OPRM1OPRD1MEN1KMT2ASMN1; SMN2
SCHEMBL18112755 0.69 OPRM1 (0.43) OPRM1OPRD1MEN1KMT2ASMN1; SMN2
SCHEMBL9843582 0.66 OPRM1 (0.60) OPRM1OPRD1MEN1KMT2ANPC1
Phenadoxone SCHEMBL25165 0.66 OPRM1 (0.63) OPRM1OPRD1GRIN2DGRIN1GRIN2A
SCHEMBL28035973 0.65 SMN1; SMN2 (0.40) OPRM1OPRD1MEN1KMT2ASMN1; SMN2
Phenadoxone SCHEMBL2032631 0.65 OPRM1 (0.62) OPRM1OPRD1GRIN2DGRIN1GRIN2A
SCHEMBL21383627 0.65 ALDH1A1 (0.68) MEN1KMT2AALDH1A1GAA
Propionic Acid SCHEMBL11785368 0.64 OPRM1 (0.46) OPRM1OPRD1GRIN2DGRIN1GRIN2A
SCHEMBL31127464 0.64 SMN1; SMN2 (0.46) OPRM1OPRD1MEN1KMT2ASMN1; SMN2

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-105086601-A LED-UV offset printing ink and preparation method therefor and use thereof BEIJING JINHONGYING TECHNOLOGY CO LTD 2015-11-25 CN claimed
CN-105086601-A LED-UV offset printing ink and preparation method therefor and use thereof BEIJING JINHONGYING TECHNOLOGY CO LTD 2015-11-25 CN disclosed