SCHEMBL20195455

SCHEMBL20195455

CC(C)c1cccc(N(N)C(=O)N(C)N)c1COc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 1/20 0.37
GABRA5 P31644 4/20 0.34
TSHR P16473 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GRM2 Q14416 1/20 0.32
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL20195402 0.85 GABRA5 (0.39) NPC1RAB9ASMN1; SMN2GRM5GABRA5
SCHEMBL20195398 0.85 RXFP1 (0.36) NPC1RAB9AGRM5GABRA5ALDH1A1
SCHEMBL20195459 0.84 ADORA2A (0.38) NPC1RAB9ASMN1; SMN2GRM5GABRA5
SCHEMBL20195413 0.78 HTR7 (0.39)
SCHEMBL20195562 0.73 GLP1R (0.36)
SCHEMBL22037708 0.72 HTR7 (0.42) CYP2D6CYP2C19
SCHEMBL22038784 0.72 HTR7 (0.41) SMN1; SMN2
SCHEMBL22037272 0.72 HTR7 (0.41)
SCHEMBL20195412 0.72 NR1H4 (0.32)
SCHEMBL22037199 0.71 GABRA5 (0.33) GABRA5ALDH1A1

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