SCHEMBL9699428

SCHEMBL9699428

C=CCNCCN(CC=C)CCN(CC=C)CC=C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4306829 0.95 TDP1 (0.35) TDP1
SCHEMBL10833378 0.91 TDP1 (0.37) TDP1
SCHEMBL8716909 0.88 TDP1 (0.36) TDP1
SCHEMBL7938632 0.85 TDP1 (0.41) TDP1OPRK1
SCHEMBL8597886 0.85 TDP1 (0.31) TDP1
SCHEMBL18465506 0.82 TDP1 (0.36) TDP1
SCHEMBL4314761 0.82 PAOX (0.33) TDP1
SCHEMBL10583240 0.82 PAOX (0.33) TDP1OPRM1OPRD1OPRK1
SCHEMBL10942175 0.80 PAOX (0.37)
Hydrochloric Acid SCHEMBL29392001 0.80 SMOX (0.35) OPRM1OPRD1OPRK1

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
WO-1992005433-A1 CONTINUOUS POSITIVE CHARGE CAPILLARY COLUMNS USED IN CAPILLARY ELECTROPHORESIS KERR ROBERT (FR) 1992-04-02 WO disclosed