SCHEMBL9550200

SCHEMBL9550200

CN(CC(=O)O)c1cccc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.54
CTSA P10619 1/20 0.42
KMO O15229 1/20 0.41
CNR2 P34972 2/20 0.41
CTRC Q99895 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SLC6A9 P48067 1/20 0.39
SMO Q99835 1/20 0.39
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9158138 0.85 CNR1 (0.54) CNR1CTSACNR2NPC1RAB9A
SCHEMBL9399671 0.75 CNR1 (0.46) CNR1CNR2NPC1RAB9ASMO
SCHEMBL13666231 0.75 ADORA3 (0.44) CTRCNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8769158 0.73 PTGER2 (0.43) CTSA
SCHEMBL12887782 0.72 ADORA3 (0.42) CTRCMAPTL3MBTL1
SCHEMBL9163380 0.70 CNR1 (0.46) CNR1CNR2NPC1RAB9AMAPT
SCHEMBL8541381 0.70 ALDH1A1 (0.45) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL8768703 0.70 PTGER2 (0.39)
SCHEMBL9741684 0.69 CNR1 (0.46) CNR1CNR2NPC1RAB9AMAPT
SCHEMBL9378711 0.69 CNR1 (0.46) CNR1CNR2NPC1RAB9AMAPT

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
US-5196541-A PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-AMINOACRYLIC ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed