SCHEMBL4455857

SCHEMBL4455857

O=c1cc(C2=CC=C(Cl)CN2)ccn1-c1ccc2c(c1)CCN2C1CNC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MCHR1 Q99705 6/20 0.33
HTR2C P28335 4/20 0.31
HTR2B P41595 4/20 0.31
DPP4 P27487 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL4451742 0.86 MCHR1 (0.34) MCHR1HTR2CHTR2B
SCHEMBL13622724 0.82 MCHR1 (0.46) MCHR1HTR2CHTR2BDPP4
SCHEMBL13622717 0.77 MCHR1 (0.50) MCHR1HTR2CHTR2BDPP4
SCHEMBL13623308 0.73 HTR2C (0.36) MCHR1HTR2CHTR2B
SCHEMBL4457815 0.69 MCHR1 (0.50) MCHR1HTR2C
SCHEMBL4444619 0.69 MCHR1 (0.43) MCHR1HTR2CHTR2B
SCHEMBL4442735 0.69 MCHR1 (0.51) MCHR1
SCHEMBL13622939 0.67 MCHR1 (0.45) MCHR1
SCHEMBL4456061 0.65 MCHR1 (0.42) MCHR1
SCHEMBL4566472 0.65 HTR2C (0.33) HTR2CHTR2BDPP4NOS1NOS2

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