SCHEMBL13622724

SCHEMBL13622724

O=c1cc(-c2ccc(Cl)cc2)ccn1-c1ccc2c(c1)CCN2C1CNC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
DPP4 P27487 1/20 0.37
HTR2A P28223 2/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4457815 0.86 MCHR1 (0.50) MCHR1HTR2CHTR2A
SCHEMBL13622717 0.86 MCHR1 (0.50) MCHR1HTR2CHTR2BDPP4HTR2A
SCHEMBL4444619 0.85 MCHR1 (0.43) MCHR1HTR2CHTR2BALDH1A1ALOX15
SCHEMBL13622939 0.83 MCHR1 (0.45) MCHR1F10
SCHEMBL4455857 0.82 SLC6A2 (0.34) MCHR1HTR2CHTR2BDPP4
SCHEMBL4456061 0.81 MCHR1 (0.42) MCHR1F10
SCHEMBL4444373 0.80 MCHR1 (0.41) MCHR1F10
SCHEMBL13623308 0.77 HTR2C (0.36) MCHR1HTR2CHTR2BHTR2A
SCHEMBL4451742 0.76 MCHR1 (0.34) MCHR1HTR2CHTR2B
SCHEMBL4443651 0.73 MCHR1 (0.46) MCHR1F10

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