SCHEMBL17064124

SCHEMBL17064124

CCC(=O)NC1(COC)CCN(CCc2cccs2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.60
SLC22A1 O15245 1/20 0.60
ABCB1 P08183 1/20 0.60
OPRD1 P41143 3/20 0.45
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 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
SCHEMBL10436874 0.81 OPRM1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL781667 0.79 OPRM1 (0.55) OPRM1SLC22A1ABCB1OPRD1SMN1; SMN2
Hydrochloric Acid SCHEMBL11563478 0.78 OPRM1 (0.54) OPRM1SLC22A1ABCB1OPRD1SMN1; SMN2
Citric Acid SCHEMBL5617042 0.76 OPRM1 (0.50) OPRM1SLC22A1ABCB1OPRD1
Sufentanil SCHEMBL27722103 0.75 OPRM1 (1.00) OPRM1SLC22A1ABCB1OPRD1OPRK1
Sufentanil SCHEMBL26728 0.75 OPRM1 (1.00) OPRM1SLC22A1ABCB1OPRD1OPRK1
Sufentanil SCHEMBL28438312 0.74 OPRM1 (0.98) OPRM1SLC22A1ABCB1OPRD1OPRK1
SCHEMBL29689972 0.74 OPRM1 (0.54) OPRM1SLC22A1ABCB1OPRD1
Sufentanil SCHEMBL780198 0.74 OPRM1 (0.98) OPRM1SLC22A1ABCB1OPRD1OPRK1
Sufentanil SCHEMBL28432948 0.74 OPRM1 (0.98) OPRM1SLC22A1ABCB1OPRD1OPRK1

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-20150250733-A1 ORAL DRUG DELIVERY FORMULATIONS ODIDI ISA (CA) 2015-09-10 US disclosed