SCHEMBL13623308

SCHEMBL13623308

CCc1cnc(-c2ccn(-c3ccc4c(c3)CCN4C3CNC3)c(=O)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.36
HTR2B P41595 5/20 0.36
GPR119 Q8TDV5 3/20 0.35
HTR2A P28223 3/20 0.34
MCHR1 Q99705 5/20 0.33
CYP11B2 P19099 1/20 0.32

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
SCHEMBL4448473 0.86 AVPR2 (0.36) GPR119MCHR1
SCHEMBL13622717 0.79 MCHR1 (0.50) HTR2CHTR2BHTR2AMCHR1
SCHEMBL13622724 0.77 MCHR1 (0.46) HTR2CHTR2BHTR2AMCHR1
SCHEMBL4442735 0.74 MCHR1 (0.51) MCHR1
SCHEMBL4455857 0.73 SLC6A2 (0.34) HTR2CHTR2BMCHR1
SCHEMBL4451742 0.71 MCHR1 (0.34) HTR2CHTR2BMCHR1
SCHEMBL13622680 0.70 MCHR1 (0.48) MCHR1
SCHEMBL13622679 0.69 MCHR1 (0.49) MCHR1
SCHEMBL13622867 0.67 MCHR1 (0.53) MCHR1
SCHEMBL4457815 0.67 MCHR1 (0.50) HTR2CHTR2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137270-A2 AZETIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-11-12 WO disclosed