SCHEMBL7669574

SCHEMBL7669574

O=C(NCCCC1CC(Cc2ccccc2)CCN1)Nc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 17/20 0.80
SLC6A2 P23975 4/20 0.80
SLC6A4 P31645 4/20 0.80
SLC6A3 Q01959 4/20 0.80
KDM4E B2RXH2 1/20 0.50
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR2A P28223 1/20 0.48

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
SCHEMBL7669580 1.00 CCR3 (0.80) CCR3SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7662152 0.93 CCR3 (0.73) CCR3SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7662149 0.93 CCR3 (0.73) CCR3SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL6774786 0.90 CCR3 (0.88) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6768391 0.90 CCR3 (0.85) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7658745 0.90 CCR3 (0.79) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6771656 0.90 CCR3 (0.79) CCR3SLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL6768388 0.90 CCR3 (0.85) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7658742 0.90 CCR3 (0.79) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6774226 0.90 CCR3 (0.79) CCR3SLC6A2SLC6A4SLC6A3EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 US claimed
EP-1140833-A1 2-SUBSTITUTED-4-NITROGEN HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035876-A1 2-SUBSTITUTED-4-NITROGEN HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
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