SCHEMBL12460722

SCHEMBL12460722

N#Cc1ccc(OCCCN)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
USP30 Q70CQ3 1/20 0.39
AR P10275 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
HTR1B P28222 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ICMT O60725 1/20 0.36
KAT2B Q92831 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC6A9 P48067 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL1714334 0.87 HRH3 (0.43) HRH3USP30ARPTGDR2NR3C1
SCHEMBL13184921 0.85 HRH3 (0.45) HRH3ARSLC6A9GPR119CYP11B1
SCHEMBL3125585 0.85 HRH3 (0.42) HRH3USP30ARPTGDR2NR3C1
SCHEMBL3121798 0.85 HRH3 (0.42) HRH3USP30ARPTGDR2NR3C1
SCHEMBL1619495 0.83 PTGDR2 (0.44) HRH3USP30ARPTGDR2ICMT
SCHEMBL9969445 0.83 SLC6A9 (0.47) HRH3USP30ARPTGDR2ICMT
SCHEMBL5314540 0.83 HRH3 (0.40) HRH3USP30ARPTGDR2ICMT
SCHEMBL3119850 0.83 HRH3 (0.40) HRH3USP30ARPTGDR2NR3C1
SCHEMBL15924404 0.83 ALDH1A1 (0.50) HRH3
SCHEMBL17654321 0.83 ALDH1A1 (0.50) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed