SCHEMBL6620293

SCHEMBL6620293

COc1cc(NC(=O)NCC[C@@H](CO)N2CC(Oc3ccc(Cl)cc3)C2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.49
FPR2 P25090 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CASR P41180 2/20 0.41
IDH1 O75874 1/20 0.41
CCR3 P51677 2/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5761293 0.85 CNR1 (0.48) CNR1FPR2HTTLMNASMN1; SMN2
SCHEMBL5764893 0.84 CNR1 (0.47) CNR1FPR2HTTLMNASMN1; SMN2
SCHEMBL5759633 0.84 CNR1 (0.46) CNR1FPR2HTTLMNASMN1; SMN2
SCHEMBL6622638 0.83 SCN9A (0.37) CNR1LMNAKMT2A
SCHEMBL6623481 0.80 MAPT (0.36) CNR1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL6620915 0.80 CYP3A4 (0.43) FPR2LMNASMN1; SMN2MEN1MAPT
SCHEMBL6620453 0.80 SCN9A (0.35) LMNASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6661476 0.77 FPR1 (0.43) CNR1FPR2LMNASMN1; SMN2ALDH1A1
SCHEMBL6621560 0.77 CYP1A2 (0.43) FPR2LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL5337976 0.77 FPR1 (0.43) CNR1FPR2LMNASMN1; SMN2ALDH1A1

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