SCHEMBL28899659

SCHEMBL28899659

CCCCCCCCCCC(c1cccc(F)c1)C1(C(N)=O)CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
CCR5 P51681 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
ICMT O60725 2/20 0.34

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
SCHEMBL28899643 0.88 OPRK1 (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL15390385 0.86 SLC6A2 (0.39) SLC6A2
SCHEMBL28899706 0.77 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1
SCHEMBL19405282 0.70 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL19070748 0.69 SLC2A1 (0.48) OPRM1OPRD1OPRK1OPRL1
SCHEMBL21555784 0.68 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL19101512 0.68 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL22795875 0.68 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL20621398 0.68 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL31287506 0.68 MAPK1 (0.45)

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-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed