SCHEMBL7500439

SCHEMBL7500439

COc1cccc(N(C(N)=O)c2ccc(OS(C)(=O)=O)cc2CN2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CCR3 P51677 7/20 0.50
ACHE P22303 2/20 0.49
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRM1 P35372 2/20 0.45

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
SCHEMBL7493199 0.89 CCR3 (0.48) POLBMEN1KMT2ACCR3
SCHEMBL7496100 0.83 CCR3 (0.62) POLBMEN1KMT2ACCR3ACHE
SCHEMBL7497400 0.81 CCR3 (0.64) POLBMEN1KMT2ACCR3OPRM1
SCHEMBL7503984 0.79 MEN1 (0.47) POLBMEN1KMT2ACCR3LMNA
SCHEMBL6705133 0.78 CCR3 (0.77) POLBMEN1KMT2ACCR3
SCHEMBL7498357 0.78 CCR3 (0.60) POLBMEN1KMT2ACCR3ACHE
SCHEMBL7499062 0.77 GAA (0.51) POLBMEN1KMT2ACCR3
SCHEMBL7499547 0.73 CCR3 (0.61) POLBMEN1KMT2ACCR3ACHE
SCHEMBL7494601 0.71 CCR3 (0.56) KMT2ACCR3ACHE
SCHEMBL7494592 0.69 GAA (0.44) POLBMEN1KMT2ACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140087-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP claimed
EP-1140087-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035454-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed