SCHEMBL6670165

SCHEMBL6670165

COc1cc(OC)cc(C(=O)N2C(=O)CCC3CCCCC32)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL6674713 0.97 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHTTPKM
SCHEMBL6669014 0.88 PKM (0.46) ALDH1A1TSHRLMNAHTTPKM
SCHEMBL6670959 0.87 KDM4E (0.52) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL6670970 0.84 KDM4E (0.52) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL7604786 0.81 ALDH1A1 (0.45) ALDH1A1TSHRLMNAHTTPKM
SCHEMBL6672033 0.77 KMT2A (0.41) ALDH1A1LMNAPKMKMT2AMEN1
SCHEMBL6670916 0.75 HSD11B1 (0.39) KMT2AMEN1GAAHPGD
SCHEMBL7691486 0.75 ALDH1A1 (0.44) ALDH1A1TSHRKMT2APOLB
SCHEMBL6673244 0.75 HPGD (0.49) TSHRPKMKMT2AHPGD
SCHEMBL6673846 0.75 KDM4E (0.50) ALDH1A1LMNAKMT2AMEN1GAA

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-0713702-B1 ANXIOLYTIC AGENT TAIHO PHARMACEUTICAL CO LTD (JP) 2004-09-29 EP disclosed
US-6500819-B2 HAS AN EXCELLENT ANXIOLYTIC EFFECT TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 2002-12-31 US disclosed
US-6355668-B1 ANXIOLYTIC AGENTS; SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-6303623-B1 TREATING ANXIETY IN A PATIENT IN NEED OF SUCH TREATMENT, COMPRISING ADMINISTERING BICYCLOLACTAM COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2001-10-16 US disclosed
US-6159987-A Bicyclolactam compounds, use thereof and intermediates for preparing thereof TAIHO PHARMACEUTICALS, CO. (JP) 2000-12-12 US disclosed
US-6004975-A ANXIOLYTIC AGENTS WITH SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1999-12-21 US disclosed
EP-0713702-A1 ANXIOLYTIC AGENT TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1996-05-29 EP disclosed