SCHEMBL4829941

SCHEMBL4829941

CC1CN(OC(=O)Oc2nn(C(=O)N3CC(C)OC(C)C3)c3cc(F)ccc23)CC(C)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2953694 0.88 LIPE (0.38) GRM4SMN1; SMN2ALDH1A1NPC1HSD17B10
SCHEMBL4837047 0.77 NPC1 (0.36) ALDH1A1NPC1KMT2AMEN1
SCHEMBL4828449 0.76 SPR (0.34) HPGD
SCHEMBL16242493 0.74 FAAH (0.42) SMN1; SMN2ALDH1A1NPC1TSHRKMT2A
SCHEMBL2955527 0.72 GAA (0.43) SMN1; SMN2ALDH1A1NPC1HSD17B10HPGD
SCHEMBL1573644 0.70 RAB9A (0.39) SMN1; SMN2ALDH1A1NPC1HSD17B10HPGD
SCHEMBL2965248 0.68 NPC1 (0.36) SMN1; SMN2ALDH1A1NPC1HPGDKMT2A
SCHEMBL2956860 0.67 SPR (0.36)
SCHEMBL1573729 0.66 HDAC1 (0.39) ALDH1A1KMT2AMEN1
SCHEMBL16242496 0.66 SPR (0.32) SMN1; SMN2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937648-B1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI SA (FR) 2014-11-26 EP disclosed
EP-1937648-A1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2007042178-A1 DIACYL INDAZOL DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (DE) 2007-04-19 WO disclosed