SCHEMBL18871069

SCHEMBL18871069

Cc1cc(OCc2c(C3CC3)cccc2N(N)C(=O)N(C)N)c(Cl)cc1O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
ALDH1A1 P00352 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR5 Q9H228 2/20 0.31
SLC22A12 Q96S37 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
MDM2 Q00987 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
THRB P10828 1/20 0.30
TACR1 P25103 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
SCHEMBL18871330 0.88 MRGPRX4 (0.39) HTR6MRGPRX4NR1H4ALDH1A1S1PR1
SCHEMBL18831656 0.85 GRM5 (0.38) MRGPRX4ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL18831406 0.82 MRGPRX4 (0.35) MRGPRX4
SCHEMBL18831746 0.81 SLC22A12 (0.37) MRGPRX4ALDH1A1SLC22A12SMN1; SMN2NPC1
SCHEMBL18871617 0.80 HTR6 (0.35) HTR6MRGPRX4NR1H4S1PR1S1PR5
SCHEMBL20686779 0.79 PTGDR2 (0.35) HTR6MRGPRX4L3MBTL1
SCHEMBL18871267 0.79 SLC22A12 (0.33) HTR6SLC22A12MAPTRAB9ATHRB
SCHEMBL18831547 0.79 MAOA (0.37) MRGPRX4ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL18831649 0.79 SLC22A12 (0.39) MRGPRX4NR1H4ALDH1A1SLC22A12SMN1; SMN2
SCHEMBL20195507 0.79 SSTR4 (0.37) THRB

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-2900654-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-17 EP disclosed