SCHEMBL28899643

SCHEMBL28899643

CCCCCCCCCCC(c1ccccc1)C1(C(N)=O)CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.40
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRL1 P41146 4/20 0.40
ALDH1A1 P00352 2/20 0.38
ASAH1 Q13510 2/20 0.38
ACER2 Q5QJU3 1/20 0.38
NAAA Q02083 2/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.36
CSNK1E P49674 1/20 0.36

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
SCHEMBL28899706 0.89 OPRM1 (0.43) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL28899659 0.88 SLC6A2 (0.38) OPRK1OPRM1OPRD1OPRL1
SCHEMBL28899645 0.72 ALDH1A1 (0.34) OPRK1OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL30632554 0.72 ALDH1A1 (0.40) OPRK1ALDH1A1POLB
SCHEMBL18342994 0.72 ALDH1A1 (0.40) ALDH1A1
SCHEMBL15390385 0.72 SLC6A2 (0.39)
SCHEMBL5815457 0.71 CHRM2 (0.40) ALDH1A1
SCHEMBL5818428 0.70 MME (0.40) OPRK1OPRM1OPRD1OPRL1
SCHEMBL28318116 0.69 ALOX5 (0.44) OPRK1ALDH1A1
SCHEMBL27932361 0.69 ALOX5 (0.44) OPRK1ALDH1A1

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