SCHEMBL7662149

SCHEMBL7662149

O=C(NCCCC1CC(Cc2ccccc2)CCN1)Nc1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 18/20 0.73
SLC6A2 P23975 7/20 0.73
SLC6A4 P31645 7/20 0.73
SLC6A3 Q01959 7/20 0.73
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.48
POLB P06746 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
SCHEMBL7662152 1.00 CCR3 (0.73) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7669580 0.93 CCR3 (0.80) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7669574 0.93 CCR3 (0.80) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7658742 0.90 CCR3 (0.79) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7658745 0.90 CCR3 (0.79) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6774015 0.88 CCR3 (0.57) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL6773777 0.88 CCR3 (0.57) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7654148 0.85 CCR3 (0.69) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7654151 0.85 CCR3 (0.69) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7662128 0.85 CCR3 (1.00) CCR3SLC6A2SLC6A4SLC6A3

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
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