SCHEMBL20195614

SCHEMBL20195614

CCc1cccc(C(=O)Cl)c1COc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
GABRA5 P31644 2/20 0.40
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
TSHR P16473 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL20195668 0.83 RAB9A (0.44) GABRA5NPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL18504348 0.79 NR1H4 (0.33)
SCHEMBL20845053 0.78 NR1H4 (0.33)
SCHEMBL8820704 0.76 GABRA1 (0.46) ALDH1A1TSHRHTTKMT2A
SCHEMBL17788241 0.74 MAPT (0.41) RAB9AHTT
SCHEMBL20195609 0.73 MEN1 (0.51) GABRA5ALDH1A1RXFP1HTTMAPK1
SCHEMBL17788239 0.72 MRGPRX4 (0.49) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL17788254 0.72 MRGPRX4 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL20195572 0.72 MRGPRX4 (0.33)
SCHEMBL18504352 0.72 LTB4R (0.33)

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