SCHEMBL7654151

SCHEMBL7654151

CCOC(=O)c1ccc(NC(=O)NCCC[C@@H]2C[C@@H](Cc3ccccc3)CCN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.69
SLC6A2 P23975 4/20 0.69
SLC6A4 P31645 4/20 0.69
SLC6A3 Q01959 4/20 0.69
MAPT P10636 3/20 0.53
NAMPT P43490 1/20 0.53
CASR P41180 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABL1 P00519 1/20 0.45
HTT P42858 1/20 0.45
RIN1 Q13671 1/20 0.45

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
SCHEMBL7654148 1.00 CCR3 (0.69) CCR3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL6773541 0.91 CCR3 (0.81) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6773538 0.91 CCR3 (0.81) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL7669580 0.87 CCR3 (0.80) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7669574 0.87 CCR3 (0.80) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7662149 0.85 CCR3 (0.73) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL7662152 0.85 CCR3 (0.73) CCR3SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL6769107 0.84 CCR3 (0.76) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6769106 0.84 CCR3 (0.76) CCR3SLC6A2SLC6A4SLC6A3
SCHEMBL6779886 0.82 CCR3 (0.72) CCR3SLC6A2SLC6A4SLC6A3KMT2A

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 1 patent. 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