SCHEMBL7499307

SCHEMBL7499307

O=C(NCCC(c1ccccc1)N1CCC(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.55
EPHX1 P07099 8/20 0.55
CCR3 P51677 1/20 0.55
MAPK1 P28482 1/20 0.53
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 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
SCHEMBL5757825 0.80 SLC6A2 (0.54) SLC6A2SLC6A3
SCHEMBL6331510 0.80 CCR3 (0.81) EPHX2EPHX1CCR3SLC6A2SLC6A3
SCHEMBL5758650 0.79 CCR3 (0.60) EPHX2CCR3SLC6A2SLC6A3
SCHEMBL6337374 0.79 CCR3 (0.77) EPHX2EPHX1CCR3MAPK1SLC6A2
SCHEMBL7497930 0.78 CCR3 (0.61) CCR3
SCHEMBL6338952 0.77 EPHX2 (0.55) EPHX2EPHX1CCR3MAPK1SLC6A2
SCHEMBL6407882 0.75 CCR3 (0.65) EPHX2EPHX1CCR3MAPK1
SCHEMBL5757908 0.74 CARM1 (0.59) SLC6A2SLC6A3
SCHEMBL7498516 0.74 CCR3 (0.58) EPHX2EPHX1CCR3MAPK1
SCHEMBL5755428 0.74 SLC6A2 (0.47) CCR3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140086-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP claimed
EP-1140086-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035451-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
EP-1140086-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP disclosed
EP-1140086-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035451-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed