SCHEMBL6633908

SCHEMBL6633908

Cc1cc(OC2CN(CC[C@@H](CO)NC(=O)Nc3cc(C4CC4)nn3C)C2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
FPR2 P25090 2/20 0.35
PROKR1 Q8TCW9 2/20 0.35
HRH1 P35367 2/20 0.35
CCR3 P51677 2/20 0.35
KCNJ6 P48051 3/20 0.35
KCNJ3 P48549 3/20 0.35
KCNJ5 P48544 2/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACACB O00763 1/20 0.34
SCN9A Q15858 2/20 0.34
PDE9A O76083 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNT1 Q5JUK3 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5331514 0.90 NTRK1 (0.42) NTRK1FPR2PROKR1KCNJ6KCNJ3
SCHEMBL6665547 0.88 SCN9A (0.34) NTRK1FPR2PROKR1HRH1CCR3
SCHEMBL6640836 0.87 NTRK1 (0.48) NTRK1FPR2PROKR1CCR3KCNJ6
SCHEMBL6636325 0.81 FPR2 (0.38) NTRK1FPR2PROKR1HRH1CCR3
SCHEMBL6635325 0.78 MAPT (0.45) MEN1KMT2ATP53
SCHEMBL6637614 0.77 NTRK1 (0.42) NTRK1FPR2PROKR1KCNJ6KCNJ3
SCHEMBL5333712 0.77 MAPT (0.36) NTRK1FPR2PROKR1ACACBMEN1
SCHEMBL5219563 0.77 NTRK1 (0.41) NTRK1KCNJ6KCNJ3KCNJ5CYP3A4
SCHEMBL5219567 0.77 NTRK1 (0.41) NTRK1KCNJ6KCNJ3KCNJ5CYP3A4
SCHEMBL5218970 0.77 CYP3A4 (0.42) NTRK1KCNJ6KCNJ3KCNJ5CYP3A4

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