SCHEMBL7812845

SCHEMBL7812845

NC(=O)NCCC1CC(Cc2ccccc2)CCN1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.61
SLC6A4 P31645 5/20 0.55
SLC6A2 P23975 4/20 0.55
SLC6A3 Q01959 4/20 0.55
EPHX2 P34913 1/20 0.43
F2 P00734 2/20 0.42
GBA1 P04062 1/20 0.42
PLG P00747 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6774752 0.80 CCR3 (0.68) CCR3SLC6A4SLC6A2SLC6A3
SCHEMBL6774750 0.80 CCR3 (0.68) CCR3SLC6A4SLC6A2SLC6A3
SCHEMBL7669574 0.78 CCR3 (0.80) CCR3SLC6A4SLC6A2SLC6A3POLB
SCHEMBL7669580 0.78 CCR3 (0.80) CCR3SLC6A4SLC6A2SLC6A3POLB
SCHEMBL18844418 0.78 CCR3 (0.77) CCR3SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL6773025 0.78 CCR3 (0.74) CCR3SLC6A4SLC6A2SLC6A3
SCHEMBL7658588 0.77 CCR3 (0.90) CCR3SLC6A4SLC6A2SLC6A3
SCHEMBL7658592 0.77 CCR3 (0.90) CCR3SLC6A4SLC6A2SLC6A3
SCHEMBL27666282 0.77 GBA1 (0.59) CCR3SLC6A4SLC6A2SLC6A3GBA1
SCHEMBL18840912 0.77 CCR3 (1.00) CCR3SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140833-A1 2-SUBSTITUTED-4-NITROGEN HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035876-A1 2-SUBSTITUTED-4-NITROGEN HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed