SCHEMBL7464903

SCHEMBL7464903

[CH2]CCc1ccccc1SCCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
TLR8 Q9NR97 1/20 0.41
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.36
S100A4 P26447 1/20 0.36
SOAT1 P35610 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LIPG Q9Y5X9 1/20 0.35
HTT P42858 1/20 0.33

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
SCHEMBL3016133 0.87 PTGS2 (0.46) PTGS2TLR8EPHX2SOAT1THRA
SCHEMBL7323844 0.82 HPGD (0.34) MAPTNPSR1LMNAL3MBTL1S100A4
SCHEMBL5268552 0.81 PTGS2 (0.44) PTGS2TLR8MAPTNPSR1LMNA
SCHEMBL8672850 0.79 PTGS2 (0.59) PTGS2TLR8MAPTNPSR1LMNA
SCHEMBL9727526 0.79 APOBEC3G (0.53) PTGS2TLR8MAPTNPSR1LMNA
SCHEMBL16846614 0.79 PTGS2 (0.49) PTGS2TLR8MAPTNPSR1LMNA
SCHEMBL5267474 0.76 PTGS2 (0.44) PTGS2TLR8MAPTNPSR1LMNA
SCHEMBL19692240 0.76 TLR8 (0.41) PTGS2TLR8MAPTLIPG
SCHEMBL10497552 0.75 LIPG (0.47) PTGS2TLR8THRATHRBLIPG
SCHEMBL27616882 0.75 PTGS2 (0.50) PTGS2TLR8EPHX2SOAT1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed