SCHEMBL16384993

SCHEMBL16384993

Cc1ccc(F)cc1OCc1c(C(=O)Cl)cccc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
HTR6 P50406 5/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
CYP2D6 P10635 1/20 0.35
OPRL1 P41146 1/20 0.35
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 2/20 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
SCHEMBL16385182 0.89 SLC22A12 (0.44) SLC22A12HTR6PTGDR2MRGPRX4ALDH1A1
SCHEMBL17788251 0.87 MRGPRX4 (0.41) SLC22A12HTR6PTGDR2MRGPRX4ALDH1A1
SCHEMBL17788242 0.86 SLC22A12 (0.40) SLC22A12HTR6PTGDR2MRGPRX4ALDH1A1
SCHEMBL17788255 0.84 NR1H4 (0.41) SLC22A12HTR6MRGPRX4ALDH1A1
SCHEMBL17788243 0.82 MRGPRX4 (0.46) FFAR4HTR6PTGDR2MRGPRX4ALDH1A1
SCHEMBL16385418 0.81 HTR6 (0.46) FFAR4FFAR1SLC22A12HTR6PTGDR2
SCHEMBL20195631 0.80 SSTR4 (0.41) SGMS2CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL20195491 0.79 SSTR4 (0.40) SLC22A12SLC6A4HTR1A
SCHEMBL16385179 0.78 PTGDR2 (0.44) SLC22A12HTR6PTGDR2MRGPRX4ALDH1A1
SCHEMBL17788259 0.78 MRGPRX4 (0.40) HTR6PTGDR2MRGPRX4

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
WO-2015005499-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2015-01-15 WO disclosed