SCHEMBL6180484

SCHEMBL6180484

NC(=O)OCc1cccc(Oc2cc(Cl)ccc2NCc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
CD38 P28907 1/20 0.41
FFAR1 O14842 2/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
RPS6KB1 P23443 2/20 0.39
AURKA O14965 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
SCD O00767 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6177750 0.87 ADAMTS5 (0.44) P2RY1MRGPRX4FFAR1PTGDR2NPC1
SCHEMBL7834257 0.85 MRGPRX4 (0.50) P2RY1MRGPRX4CD38FFAR1PTGDR2
SCHEMBL5205234 0.80 TSHR (0.46) P2RY1MRGPRX4CD38HTR2ASLC6A4
SCHEMBL5201777 0.79 P2RY1 (0.43) P2RY1MRGPRX4FFAR1HTR2ASLC6A4
SCHEMBL6176321 0.77 FFAR1 (0.42) FFAR1NPC1RAB9AALDH1A1MAPT
SCHEMBL6178866 0.76 FFAR1 (0.44) FFAR1PTGDR2TDP1
SCHEMBL5206113 0.74 ADAMTS5 (0.48) MRGPRX4FFAR1PTGDR2NPC1RAB9A
SCHEMBL6177374 0.73 F10 (0.44) MRGPRX4PTGDR2SMN1; SMN2MAPTHPGD
SCHEMBL20524098 0.73 IDO1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5350074 0.70 PPARG (0.51) CD38RPS6KB1PTGDR2ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed