SCHEMBL9508473

SCHEMBL9508473

O=C(C(Cl)Cl)N1CCc2ccccc2C1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.45
ACE P12821 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1B P49286 1/20 0.42
DRD1 P21728 1/20 0.41
OPRD1 P41143 1/20 0.40

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
SCHEMBL9511054 0.88 ACE (0.45) TRPM8ACENPSR1MTNR1BDRD1
SCHEMBL2138396 0.80 DRD1 (0.59) ACENPSR1MTNR1BDRD1
SCHEMBL9508456 0.78 HHAT (0.57) TRPM8
SCHEMBL9508177 0.78 ACE (0.49) TRPM8ACENPSR1MTNR1BDRD1
SCHEMBL10770517 0.77 ACE (0.48) TRPM8ACENPSR1MTNR1BDRD1
SCHEMBL9509872 0.77 MTNR1B (0.53) ACENPSR1MTNR1BDRD1OPRD1
SCHEMBL9508502 0.75 MTNR1B (0.57) ACENPSR1MTNR1BDRD1OPRD1
SCHEMBL9509163 0.75 MTNR1B (0.51) ACENPSR1MTNR1BDRD1OPRD1
SCHEMBL17061165 0.72 ACE (0.51) TRPM8ACENPSR1MTNR1BDRD1
SCHEMBL3815005 0.70 POLB (0.39) TRPM8NPSR1DRD1

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