SCHEMBL7499547

SCHEMBL7499547

COc1ccc(N(Cc2ccccc2CN2CCC(Cc3ccccc3)CC2)C(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.61
OPRM1 P35372 5/20 0.60
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.58
KMT2A Q03164 2/20 0.58
ACHE P22303 2/20 0.57
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7498357 0.90 CCR3 (0.60) CCR3OPRM1MEN1POLBKMT2A
SCHEMBL7494645 0.77 GAA (0.56) CCR3OPRM1MEN1POLBKMT2A
SCHEMBL28598370 0.77 OPRM1 (0.81) OPRM1ACHEGRIN1GRIN2B
SCHEMBL7499853 0.76 CCR3 (0.59) CCR3OPRM1MEN1KMT2AACHE
SCHEMBL6700268 0.76 CCR3 (1.00) CCR3MEN1POLBKMT2ASMN1; SMN2
SCHEMBL28611346 0.75 OPRM1 (1.00) OPRM1
SCHEMBL6700148 0.74 CCR3 (1.00) CCR3MEN1POLBKMT2ASMN1; SMN2
SCHEMBL7656463 0.74 GAA (0.64) CCR3OPRM1MEN1KMT2AACHE
SCHEMBL7500439 0.73 POLB (0.55) CCR3OPRM1MEN1POLBKMT2A
SCHEMBL7496100 0.72 CCR3 (0.62) CCR3MEN1POLBKMT2AACHE

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