SCHEMBL7577186

SCHEMBL7577186

COCCOC(OC1CNCCC1c1ccc(OCc2nc(-c3cccs3)no2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.52
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
FFAR1 O14842 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
Bromide SCHEMBL7563739 0.99 REN (0.52) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7560414 0.85 MAPT (0.43) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7549651 0.81 REN (0.49) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7080518 0.81 REN (0.55) RENMAPTNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL6041996 0.80 REN (0.54) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6043263 0.78 MAPT (0.40) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6041946 0.76 REN (0.60) RENMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6041513 0.76 REN (0.59) RENMAPTNPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6042392 0.75 REN (0.70) RENFFAR1
SCHEMBL7567638 0.75 REN (0.48) REN

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-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed