SCHEMBL5759633

SCHEMBL5759633

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
HTT P42858 2/20 0.42
FPR2 P25090 3/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASR P41180 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
FPR1 P21462 2/20 0.37
IDH1 O75874 1/20 0.36
CCR3 P51677 1/20 0.36
MARS1 P56192 1/20 0.36

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) CNR1HTTFPR2LMNASMN1; SMN2
SCHEMBL5764893 0.83 CNR1 (0.47) CNR1HTTFPR2LMNASMN1; SMN2
SCHEMBL5761293 0.82 CNR1 (0.48) CNR1HTTFPR2LMNASMN1; SMN2
SCHEMBL5763424 0.79 KIT (0.33) LMNASMN1; SMN2CASRKMT2A
SCHEMBL5763777 0.79 CYP3A4 (0.42) CNR1MEN1MAPTKMT2A
SCHEMBL5762210 0.79 MAPT (0.35) CNR1LMNACASRMEN1MAPT
SCHEMBL5220710 0.79 FPR1 (0.41) CNR1FPR2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5220717 0.79 FPR1 (0.41) CNR1FPR2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5760995 0.78 DRD2 (0.42) HTTLMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL6621560 0.75 CYP1A2 (0.43) FPR2LMNASMN1; SMN2CASRMEN1

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