SCHEMBL8797802

SCHEMBL8797802

CCOCn1c(-c2ccc(Cl)c(Cl)c2)c(Br)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
MEN1 O00255 1/20 0.30
CRHBP P24387 1/20 0.30
MC4R P32245 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 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
SCHEMBL8799002 0.87 MEN1 (0.34) MEN1KMT2A
SCHEMBL8799268 0.83 MAPK14 (0.32)
SCHEMBL5819704 0.82 CTSS (0.33) SLC6A3MEN1KMT2A
SCHEMBL8799397 0.77 AHR (0.36) AKR1C3AKR1C2MEN1CRHBPMC4R
SCHEMBL5812554 0.77 CTSS (0.34) SLC6A3AKR1C3AKR1C2MEN1KMT2A
SCHEMBL7510534 0.76 NOTUM (0.35) SLC6A3AKR1C3AKR1C2MEN1CRHBP
SCHEMBL9220849 0.75 MAPK14 (0.33)
SCHEMBL9390199 0.73 AR (0.36)
SCHEMBL8799727 0.73 AKR1C3 (0.33) SLC6A3AKR1C3AKR1C2MEN1CRHBP
SCHEMBL9015140 0.73 PSD (0.33) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP claimed
US-5157047-A Miticides AMERICAN CYANAMID COMPANY (US) 1992-10-20 US claimed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP claimed
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP disclosed
US-5281719-A Reacting a methyl N-((trimethylsilyl)methyl)thiobenzimidate with 2,3-dichloro-hexafluorobutene to give a 2-aryl-3,4-bis-(trifluoromethyl)pyrrole and reacting this with a halogenating compound AMERICAN CYANAMID COMPANY (US) 1994-01-25 US disclosed
US-5229524-A Bis-and tris (trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-20 US disclosed
US-5157047-A Miticides AMERICAN CYANAMID COMPANY (US) 1992-10-20 US disclosed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP disclosed