SCHEMBL7496100

SCHEMBL7496100

COc1cccc(N(C(N)=O)c2cc(CO)ccc2CN2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.62
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
ACHE P22303 1/20 0.52
HTR1A P08908 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL7497400 0.88 CCR3 (0.64) CCR3MEN1KMT2APOLB
SCHEMBL7500439 0.83 POLB (0.55) CCR3MEN1KMT2APOLBACHE
SCHEMBL7498357 0.81 CCR3 (0.60) CCR3MEN1KMT2APOLBACHE
SCHEMBL6703869 0.77 CCR3 (1.00) CCR3
SCHEMBL7499062 0.74 GAA (0.51) CCR3MEN1KMT2APOLB
SCHEMBL7499525 0.73 CCR3 (0.63) CCR3
SCHEMBL7494601 0.73 CCR3 (0.56) CCR3KMT2AACHE
SCHEMBL7499547 0.72 CCR3 (0.61) CCR3MEN1KMT2APOLBACHE
SCHEMBL7574762 0.72 CCR3 (0.61) CCR3
SCHEMBL7493199 0.72 CCR3 (0.48) CCR3MEN1KMT2APOLB

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 disclosed
EP-1140087-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035454-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed