SCHEMBL20195408

SCHEMBL20195408

CCc1cccc(N(C)N)c1COc1cccc(F)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
HTR7 P34969 2/20 0.33
GRM5 P41594 1/20 0.32
HTR1A P08908 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
GABRA5 P31644 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL22038783 0.88 HTR7 (0.47) HTR7HTR1ATAAR1GABRA5
SCHEMBL22038668 0.84 SCN9A (0.37) HTR7GRM5GABRA5
SCHEMBL20845022 0.79 TAAR1 (0.36) HTR1ATAAR1
SCHEMBL22059405 0.75 TP53 (0.35) HTR1ATAAR1
SCHEMBL22037272 0.75 HTR7 (0.41) HTR7
SCHEMBL20195570 0.73 TAAR1 (0.35) HTR1ATAAR1
SCHEMBL20195478 0.73 GABRA5 (0.38) CYP11B1CYP11B2HTR7GRM5GABRA5
SCHEMBL20195500 0.72 HTT (0.33) HTR1ATAAR1
SCHEMBL18831504 0.72 MAPT (0.36)
SCHEMBL22038196 0.72 HTR7 (0.49) HTR7HTR1AGABRA5

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed