SCHEMBL6671634

SCHEMBL6671634

N#Cc1ccc(C(=O)N2C(=O)CC3CCCCC32)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DPP4 P27487 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
EPHX1 P07099 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
PGR P06401 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL6672554 0.88 NR3C2 (0.45) NR3C2NPC1RAB9AEPHX2ALDH1A1
SCHEMBL6674322 0.85 ALDH1A1 (0.43) NR3C2NPC1RAB9AEPHX2ALDH1A1
SCHEMBL6670591 0.83 HSD11B1 (0.40) ALDH1A1GAA
SCHEMBL6670977 0.82 HSD11B1 (0.41) RAB9AALDH1A1CA1CA2EPHX1
SCHEMBL6671108 0.82 ALDH1A1 (0.48) EPHX2ALDH1A1GAAMAPT
SCHEMBL6673712 0.82 KMT2A (0.42) NPC1RAB9AEPHX2ALDH1A1GAA
SCHEMBL6673846 0.78 KDM4E (0.50) EPHX2ALDH1A1GAAMAPT
SCHEMBL6672054 0.77 KMT2A (0.50) EPHX2ALDH1A1CA1CA2GAA
SCHEMBL6670389 0.77 HPGD (0.50) SIGMAR1PGR
SCHEMBL6669032 0.76 KDM4E (0.50) EPHX2ALDH1A1GAAMAPT

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