SCHEMBL20195506

SCHEMBL20195506

C#Cc1cccc(N(N)C(=O)N(C)N)c1COc1cccc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.36
GRM5 P41594 3/20 0.34
GRM1 Q13255 2/20 0.34
HSD17B3 P37058 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL20195478 0.84 GABRA5 (0.38) GABRA5GRM5GRM1HSD17B3
SCHEMBL20195540 0.79 SGMS2 (0.34)
SCHEMBL18871326 0.78 MRGPRX4 (0.34)
SCHEMBL18871659 0.78 MRGPRX4 (0.32)
SCHEMBL20195396 0.75 SMN1; SMN2 (0.38)
SCHEMBL22037708 0.75 HTR7 (0.42)
SCHEMBL22038784 0.74 HTR7 (0.41)
SCHEMBL20195402 0.73 GABRA5 (0.39) GABRA5GRM5
SCHEMBL22037209 0.72 NR1H4 (0.32) GRM5
SCHEMBL22037272 0.72 HTR7 (0.41) CHRNB2CHRNA4

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