SCHEMBL9700680

SCHEMBL9700680

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
OPRK1 P41145 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR1E P28566 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 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
SCHEMBL10833373 1.00 ALDH1A1 (0.33) ALDH1A1OPRK1OPRM1OPRD1KMT2A
SCHEMBL16893342 0.95 ALDH1A1 (0.33) ALDH1A1OPRK1KMT2AKDM4EMEN1
SCHEMBL3871104 0.95 ALDH1A1 (0.37) ALDH1A1OPRK1OPRM1OPRD1
SCHEMBL325355 0.95 ALDH1A1 (0.37) ALDH1A1OPRK1OPRM1OPRD1KMT2A
Hydrochloric Acid SCHEMBL4154585 0.92 LCK (0.32) ALDH1A1OPRK1OPRM1OPRD1KMT2A
Hydrochloric Acid SCHEMBL11320260 0.92 ALDH1A1 (0.35) ALDH1A1OPRK1OPRM1OPRD1KMT2A
SCHEMBL6528243 0.86 OPRK1 (0.38) ALDH1A1OPRK1OPRM1OPRD1KMT2A
SCHEMBL11257285 0.85 LCK (0.35) ALDH1A1OPRK1OPRM1OPRD1
SCHEMBL7735150 0.85 OPRM1 (0.31) ALDH1A1OPRK1OPRM1OPRD1
SCHEMBL127488 0.83 TSHR (0.38) ALDH1A1OPRK1OPRM1OPRD1KMT2A

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