SCHEMBL8034174

SCHEMBL8034174

CN(C(=O)COc1cccc(N(CCC2CCCC2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTR2A P28223 3/20 0.37
CCR3 P51677 3/20 0.37
MLYCD O95822 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE5A O76074 1/20 0.35
CASR P41180 1/20 0.35
MAPK1 P28482 1/20 0.35
PPIB P23284 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8036336 0.99 ACHE (0.40) ACHECNR1CNR2HTR2ACCR3
SCHEMBL8020810 0.92 CNR1 (0.38) CNR1CNR2HTR2ACCR3TP53
SCHEMBL8036223 0.90 CCR3 (0.38) HTR2ACCR3MLYCDTP53SMN1; SMN2
SCHEMBL8029991 0.89 LTB4R (0.41) MLYCDTP53SMN1; SMN2PDE5AMAPK1
SCHEMBL8020918 0.88 KMT2A (0.39) ACHECNR1CNR2HTR2ACCR3
SCHEMBL8020823 0.87 SMN1; SMN2 (0.40) MLYCDTP53SMN1; SMN2PDE5AMAPK1
SCHEMBL8033859 0.87 SMN1; SMN2 (0.44) MLYCDTP53SMN1; SMN2PDE5AMAPK1
SCHEMBL8030178 0.87 MLYCD (0.39) MLYCDTP53SMN1; SMN2PDE5AMAPK1
SCHEMBL8029980 0.85 MTNR1A (0.37) MLYCDTP53SMN1; SMN2PDE5AMAPK1
SCHEMBL8030239 0.85 CYSLTR1 (0.37) MLYCDTP53SMN1; SMN2PDE5AMAPK1

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed