SCHEMBL8020810

SCHEMBL8020810

CN(C(=O)COc1cccc(N(CC2CCCCC2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CCR3 P51677 2/20 0.37
HTR2A P28223 2/20 0.37
EPHX1 P07099 3/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GHSR Q92847 1/20 0.36
EPHX2 P34913 1/20 0.35
PDE5A O76074 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
SCHEMBL8036223 0.96 CCR3 (0.38) CCR3HTR2ATP53SMN1; SMN2GHSR
SCHEMBL8036336 0.93 ACHE (0.40) CNR1CNR2CCR3HTR2AEPHX1
SCHEMBL8034174 0.92 ACHE (0.40) CNR1CNR2CCR3HTR2ATP53
SCHEMBL8020796 0.89 KMT2A (0.41) CNR1CNR2CCR3HTR2AEPHX1
SCHEMBL8036083 0.89 KMT2A (0.41) CNR1CNR2CCR3HTR2AEPHX1
SCHEMBL8034130 0.88 KMT2A (0.42) CNR1CNR2CCR3HTR2AEPHX1
SCHEMBL8020823 0.87 SMN1; SMN2 (0.40) TP53SMN1; SMN2PDE5A
SCHEMBL8033859 0.87 SMN1; SMN2 (0.44) TP53SMN1; SMN2PDE5A
SCHEMBL8031812 0.86 KMT2A (0.42) CNR1CNR2CCR3HTR2ASMN1; SMN2
SCHEMBL8029991 0.86 LTB4R (0.41) TP53SMN1; SMN2PDE5A

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