SCHEMBL5764893

SCHEMBL5764893

COc1cc(NC(=O)NCC[C@@H](CO)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.47
HTT P42858 2/20 0.43
FPR2 P25090 1/20 0.41
IDH1 O75874 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
CASR P41180 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR3 P51677 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
NAMPT P43490 4/20 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
SCHEMBL6620293 0.84 CNR1 (0.49) CNR1HTTFPR2IDH1SMN1; SMN2
SCHEMBL5759633 0.83 CNR1 (0.46) CNR1HTTFPR2IDH1SMN1; SMN2
SCHEMBL5761293 0.83 CNR1 (0.48) CNR1HTTFPR2IDH1SMN1; SMN2
SCHEMBL5761751 0.80 MAPK14 (0.37) CNR1HTTSMN1; SMN2LMNACASR
SCHEMBL5455229 0.79 IDH1 (0.41) CNR1FPR2IDH1SMN1; SMN2ALDH1A1
SCHEMBL5761023 0.79 MAPT (0.38) CNR1HTTSMN1; SMN2LMNACASR
SCHEMBL5761648 0.79 SMYD3 (0.34) CNR1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL6621560 0.75 CYP1A2 (0.43) FPR2SMN1; SMN2LMNACASRALDH1A1
SCHEMBL6622638 0.69 SCN9A (0.37) CNR1LMNAKMT2A
SCHEMBL6661476 0.66 FPR1 (0.43) CNR1FPR2IDH1SMN1; SMN2LMNA

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-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 WO disclosed