SCHEMBL9511217

SCHEMBL9511217

CCC1c2ccccc2C(C)CN1C(=O)C(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.42
NOTUM Q6P988 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
CHRM1 P11229 2/20 0.33
ABHD6 Q9BV23 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
MTNR1B P49286 2/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
MTNR1A P48039 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL9508210 0.82 NOTUM (0.43) OPRD1NOTUMALDH1A1SMN1; SMN2DRD2
SCHEMBL9508465 0.79 NOTUM (0.40) OPRD1NOTUMALDH1A1SMN1; SMN2DRD2
SCHEMBL9509175 0.79 NOTUM (0.40) NOTUMALDH1A1GAAHTTLMNA
SCHEMBL9509872 0.77 MTNR1B (0.53) OPRD1ALDH1A1MTNR1BACEDRD1
SCHEMBL10481213 0.70 OPRD1 (0.43) OPRD1NOTUMALDH1A1DRD2DRD4
SCHEMBL9508450 0.69 HHAT (0.40) NOTUMALDH1A1HTTLMNA
SCHEMBL9509163 0.67 MTNR1B (0.51) OPRD1MTNR1BACEDRD1
SCHEMBL10802326 0.67 DPP8 (0.42) NOTUMALDH1A1SMN1; SMN2ABHD6DPP8
SCHEMBL9508492 0.66 MTNR1B (0.41) NOTUMDPP8DPP9MTNR1BMTNR1A
SCHEMBL2138396 0.66 DRD1 (0.59) MTNR1BACEDRD1

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