SCHEMBL9508210

SCHEMBL9508210

CC1CN(C(=O)C(Cl)Cl)C(C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
OPRD1 P41143 1/20 0.37
DRD1 P21728 1/20 0.36
DRD4 P21917 2/20 0.36
ABHD6 Q9BV23 1/20 0.36
CACNA1G O43497 4/20 0.36
CACNA1H O95180 4/20 0.36
CACNA1I Q9P0X4 4/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.34
POLB P06746 1/20 0.33
ACE P12821 1/20 0.32

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
SCHEMBL9509175 0.84 NOTUM (0.40) NOTUMALDH1A1GAAHTTPOLB
SCHEMBL9508465 0.84 NOTUM (0.40) NOTUMOPRD1DRD4ABHD6ALDH1A1
SCHEMBL9511217 0.82 OPRD1 (0.42) NOTUMOPRD1DRD1DRD4ABHD6
SCHEMBL9509051 0.78 SMN1; SMN2 (0.43) NOTUMOPRD1DRD1CACNA1GCACNA1H
SCHEMBL2138396 0.76 DRD1 (0.59) DRD1ACE
SCHEMBL9508450 0.74 HHAT (0.40) NOTUMALDH1A1HTT
SCHEMBL10481211 0.67 PRCP (0.44) NOTUMOPRD1DRD1DRD4CACNA1G
SCHEMBL8025229 0.66 NOTUM (0.42) NOTUMDRD4DRD2
SCHEMBL8011443 0.66 NOTUM (0.42) NOTUMDRD4DRD2
SCHEMBL8025232 0.66 NOTUM (0.42) NOTUMDRD4DRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP claimed
EP-0230871-A2 Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes Monsanto Company (US) 1987-08-05 EP claimed
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP disclosed
US-4755218-A Reducing acetochlor injury to corn by applying with antidote MONSANTO COMPANY (US) 1988-07-05 US disclosed
EP-0230871-A2 Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes Monsanto Company (US) 1987-08-05 EP disclosed