SCHEMBL6669014

SCHEMBL6669014

COc1cc(OC)cc(C(=O)N2C(=O)CC3CCCCC32)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
GFER P55789 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6670165 0.88 ALDH1A1 (0.46) PKMMEN1KMT2AALDH1A1TSHR
SCHEMBL6673846 0.86 KDM4E (0.50) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL6674713 0.85 ALDH1A1 (0.46) PKMMEN1KMT2AALDH1A1TSHR
SCHEMBL6669032 0.84 KDM4E (0.50) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL6673712 0.76 KMT2A (0.42) PKMMEN1KMT2AALDH1A1GAA
SCHEMBL6670959 0.75 KDM4E (0.52) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL6670591 0.74 HSD11B1 (0.40) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL6670389 0.74 HPGD (0.50) PKMMEN1KMT2ATSHR
SCHEMBL7604786 0.74 ALDH1A1 (0.45) PKMMEN1KMT2AALDH1A1TSHR
SCHEMBL6670977 0.73 HSD11B1 (0.41) MEN1KMT2AALDH1A1LMNAHTT

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