SCHEMBL6637339

SCHEMBL6637339

CCc1nnc(NC(=O)N[C@H](CO)CCN2CC(C(=O)c3ccc(Cl)c(F)c3)C2)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 5/20 0.39
LMNA P02545 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
NOD2 Q9HC29 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6633203 0.85 RAB9A (0.40) RAB9APOLBKMT2ALMNAMEN1
SCHEMBL6637614 0.79 NTRK1 (0.42) KMT2AMEN1
SCHEMBL6635325 0.78 MAPT (0.45) RAB9APOLBKMT2ALMNAMEN1
SCHEMBL6636649 0.77 SMN1; SMN2 (0.45) POLBKMT2ALMNAMEN1ALDH1A1
SCHEMBL5221619 0.77 POLB (0.49) RAB9APOLBKMT2ALMNAMEN1
SCHEMBL6634717 0.77 SMN1; SMN2 (0.44) RAB9APOLBKMT2ALMNAMEN1
SCHEMBL5823724 0.77 POLB (0.49) RAB9APOLBKMT2ALMNAMEN1
SCHEMBL5338559 0.77 RAB9A (0.49) RAB9APOLBKMT2ALMNAMEN1
SCHEMBL5223131 0.77 POLB (0.49) RAB9APOLBKMT2ALMNAMEN1
SCHEMBL6691951 0.76 RAB9A (0.42) RAB9APOLBKMT2ALMNAMEN1

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-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 WO disclosed