SCHEMBL27782824

SCHEMBL27782824

c1ccc(C2CCN3CCCC23)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL10740876 0.90 SMN1; SMN2 (0.57) SLC18A3SMN1; SMN2
SCHEMBL27625961 0.80 SLC18A3 (0.51) SLC18A3SMN1; SMN2CYP2D6TSHRCYP1A2
SCHEMBL27719321 0.79 SLC6A9 (0.50) SLC18A3
SCHEMBL13119224 0.78 HPGD (0.53) SLC18A3SMN1; SMN2
SCHEMBL13116655 0.78 HPGD (0.53) SLC18A3SMN1; SMN2
SCHEMBL5556937 0.77 SLC6A9 (0.54)
SCHEMBL5556935 0.77 SLC6A9 (0.54)
SCHEMBL8286207 0.77 SLC6A9 (0.54)
SCHEMBL5562017 0.77 SLC6A9 (0.54)
SCHEMBL6991046 0.77 CHRNB2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101583612-A Azetidinone derivatives for the treatment of lipid metabolism disorders SCHERING CORP (US) 2009-11-18 CN disclosed
CN-101528227-A Azetidinone derivatives and methods of use thereof SCHERING CORP (US) 2009-09-09 CN disclosed
CN-101528746-A Spirocyclic azetidinone derivatives for the treatment of disorders of lipid metabolism, pain, diabetes and other disorders SCHERING CORP (US) 2009-09-09 CN disclosed