SCHEMBL4199398

SCHEMBL4199398

CC(O)(COc1cc(O)ccc1NC(=O)COC(=O)c1ccccc1)CN(Cc1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
ABCB11 O95342 1/20 0.38
PPARD Q03181 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
BRD4 O60885 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
Benzoic Acid SCHEMBL4199385 0.89 CCR1 (0.54) CCR1ABCB11PPARDBRD4
SCHEMBL4199387 0.84 CCR1 (0.45) CCR1MEN1KMT2AMAPTALDH1A1
SCHEMBL7263208 0.80 ABCB11 (0.58) CCR1MEN1KMT2AMAPTALDH1A1
SCHEMBL5583485 0.80 ABCB11 (0.58) CCR1MEN1KMT2AMAPTALDH1A1
SCHEMBL2061814 0.79 CCR1 (0.74) CCR1MEN1KMT2AMAPTMAPK1
SCHEMBL5583417 0.73 ABCB11 (0.48) CCR1KMT2AABCB11LMNASMN1; SMN2
SCHEMBL5583430 0.73 ABCB11 (0.48) CCR1ABCB11LMNABRD4
SCHEMBL5583514 0.72 ABCB11 (0.48) CCR1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL5583496 0.71 ABCB11 (0.46) CCR1KMT2APOLBL3MBTL1ABCB11
SCHEMBL4666533 0.70 ABCB11 (0.61) CCR1MEN1KMT2AMAPTMAPK1

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-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed