SCHEMBL6065608

SCHEMBL6065608

N#Cc1cc(F)c(N2CCCCCCCCCCC3CCCC2CC3)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.33
PGR P06401 6/20 0.33
HSD11B1 P28845 1/20 0.32
HTR7 P34969 1/20 0.32
GRM4 Q14833 1/20 0.32
PDE4A P27815 1/20 0.32
ABCB1 P08183 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SLC6A4 P31645 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL6066170 0.79 ABCB1 (0.31) ABCB1
SCHEMBL6066138 0.77 HRH3 (0.44) HRH3HSD11B1
SCHEMBL5016018 0.75 HTR7 (0.38) HRH3PGRHTR7GRM4CYP19A1
SCHEMBL26182854 0.71 AR (0.35) HTR7
SCHEMBL5024896 0.70 CYP11B1 (0.39) HRH3HTR7CYP11B1CYP11B2
SCHEMBL30462894 0.70 HRH3 (0.52) HRH3
SCHEMBL11553307 0.67 KMT2A (0.48) HTR7GRM4CYP19A1CYP11B1CYP11B2
SCHEMBL6066315 0.64 ALDH1A1 (0.33) ABCB1
SCHEMBL5024509 0.63 USP14 (0.44) CYP19A1CYP11B1CYP11B2SLC6A4
SCHEMBL17514714 0.62 DRD2 (0.37) PGRHTR7ABCB1CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed