SCHEMBL8994408

SCHEMBL8994408

N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C2(c3ccccc3)CC2)c1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.38
OPRD1 P41143 4/20 0.38
OPRK1 P41145 4/20 0.38
SIGMAR1 Q99720 4/20 0.36
KCNA3 P22001 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
HSD11B1 P28845 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8994468 0.86 RXFP1 (0.35) LMNAHTT
SCHEMBL9036751 0.80 KDM4E (0.39)
SCHEMBL8994464 0.80 L3MBTL1 (0.34) LMNAHTTNPSR1
SCHEMBL9035868 0.80 ALDH1A1 (0.38) LMNAHTTNPSR1
SCHEMBL8994383 0.79 GPR88 (0.35)
SCHEMBL9036109 0.79 TP53 (0.37) OPRM1OPRD1OPRK1LMNASLC6A4
SCHEMBL8994487 0.78 POLB (0.36) LMNAHTT
SCHEMBL8994395 0.78 ALDH1A1 (0.33) LMNAHTTNPSR1
SCHEMBL9036640 0.77 HTT (0.36) LMNAHTTNPSR1
SCHEMBL9037689 0.77 LMNA (0.39) LMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594941-B1 N-substituted carbonyoxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed
EP-0594941-A1 N-substituted carbonyoxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-05-04 EP claimed
US-5232980-A Insecticides, miticides, molluscicides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US claimed