SCHEMBL6665547

SCHEMBL6665547

CCc1cc(NC(=O)N[C@H](CO)CCN2CC(Oc3ccc(Cl)c(C)c3)C2)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NTRK1 P04629 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL6636325 0.93 FPR2 (0.38) SCN9AFPR2PROKR1MEN1KMT2A
SCHEMBL5333712 0.90 MAPT (0.36) FPR2PROKR1MEN1KMT2ANTRK1
SCHEMBL6633908 0.88 NTRK1 (0.41) SCN9ATP53FPR2PROKR1MEN1
SCHEMBL6635325 0.82 MAPT (0.45) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL5339678 0.82 HTR2A (0.36) SCN9AFPR2PROKR1MEN1KMT2A
SCHEMBL5331514 0.77 NTRK1 (0.42) FPR2PROKR1MEN1KMT2ANTRK1
SCHEMBL5222870 0.77 MAPT (0.35) LMNAMEN1KMT2ANTRK1
SCHEMBL5222865 0.77 MAPT (0.35) LMNAMEN1KMT2ANTRK1
SCHEMBL5221538 0.76 MAPT (0.38) LMNAMEN1KMT2ANTRK1
SCHEMBL5221796 0.76 MAPT (0.36) LMNAPROKR1MEN1KMT2AALDH1A1

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