SCHEMBL6961201

SCHEMBL6961201

CSc1ccc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCc3nc(-c4cccs4)no3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TSHR P16473 2/20 0.45
FFAR1 O14842 1/20 0.45
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
REN P00797 2/20 0.38
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
HPGD P15428 1/20 0.36
PSMB5 P28074 1/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL7080728 0.90 REN (0.49) MAPTTSHRFFAR1RAB9ASMN1; SMN2
SCHEMBL6042387 0.87 FFAR1 (0.51) MAPTTSHRFFAR1RAB9ASMN1; SMN2
SCHEMBL6955011 0.87 REN (0.39) MAPTTSHRFFAR1SMN1; SMN2LMNA
SCHEMBL7080600 0.83 MAPT (0.42) MAPTTSHRFFAR1RAB9ASMN1; SMN2
SCHEMBL6960306 0.82 REN (0.35) RENGPR119
SCHEMBL7079374 0.82 MAPT (0.41) MAPTTSHRFFAR1RAB9ASMN1; SMN2
SCHEMBL7083148 0.80 MAPT (0.40) MAPTTSHRFFAR1RAB9ASMN1; SMN2
SCHEMBL7079998 0.80 REN (0.62) FFAR1RAB9ASMN1; SMN2NPC1TDP1
SCHEMBL6042416 0.79 REN (0.60) MAPTTSHRFFAR1RAB9ASMN1; SMN2
SCHEMBL7080785 0.78 REN (0.51) MAPTRAB9ANPC1TDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed