SCHEMBL7470082

SCHEMBL7470082

O=[C]c1ncccc1CCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
TKT P29401 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP11B1 P15538 1/20 0.33
PTPN1 P18031 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 3/20 0.31
TDP1 Q9NUW8 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL7474245 0.86 DAGLA (0.33) KDM4ECYP1A2MAPTCXCR4
SCHEMBL6506893 0.81 GRM5 (0.42) KDM4ECYP1A2MAPTL3MBTL1ALDH1A1
SCHEMBL6510973 0.79 CYP3A4 (0.40) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6507278 0.79 GABRA1 (0.39) KDM4ECYP1A2MAPTL3MBTL1ALDH1A1
SCHEMBL6507690 0.77 TDP1 (0.41) L3MBTL1TDP1
SCHEMBL31692108 0.74 KDM4E (0.39) KDM4ECYP1A2MAPTTKTL3MBTL1
SCHEMBL9334644 0.72 L3MBTL1 (0.47) KDM4ECYP1A2MAPTTKTL3MBTL1
SCHEMBL1431751 0.72 L3MBTL1 (0.42) KDM4ECYP1A2MAPTTKTL3MBTL1
SCHEMBL4618729 0.71 TKT (0.52) KDM4ECYP1A2MAPTTKTL3MBTL1
SCHEMBL3913471 0.71 CYP11B1 (0.46) KDM4ECYP1A2MAPTTKTL3MBTL1

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 6 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
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