SCHEMBL6661476

SCHEMBL6661476

COc1cc(NC(=O)NC(CO)CCN2CC(Oc3ccc(Cl)cc3)C2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.43
IDH1 O75874 1/20 0.43
FPR2 P25090 5/20 0.42
UTS2R Q9UKP6 2/20 0.41
PKM P14618 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5337976 1.00 FPR1 (0.43) FPR1IDH1FPR2UTS2RPKM
SCHEMBL5334263 0.89 IDH1 (0.44) FPR1IDH1FPR2UTS2RCNR1
SCHEMBL5455229 0.85 IDH1 (0.41) FPR1IDH1FPR2UTS2RCNR1
SCHEMBL5220112 0.85 FPR1 (0.41) FPR1IDH1FPR2UTS2RCNR1
SCHEMBL5220717 0.84 FPR1 (0.41) FPR1IDH1FPR2UTS2RCNR1
SCHEMBL5220710 0.84 FPR1 (0.41) FPR1IDH1FPR2UTS2RCNR1
SCHEMBL5339131 0.83 HSD17B1 (0.36) FPR1FPR2UTS2RALDH1A1
SCHEMBL5333712 0.80 MAPT (0.36) FPR2
SCHEMBL5331514 0.79 NTRK1 (0.42) FPR2
SCHEMBL6636221 0.79 EPHX2 (0.43) LMNASMN1; 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