SCHEMBL4444619

SCHEMBL4444619

O=c1cc(-c2ccc(Cl)cc2)ccn1-c1ccc2c(c1)CCN2C1CN(C2CC2)C1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.43
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SCD O00767 1/20 0.33

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 0.89 MCHR1 (0.50) MCHR1HTR2CSCD
SCHEMBL13622724 0.85 MCHR1 (0.46) MCHR1HTR2CHTR2BALDH1A1ALOX15
SCHEMBL13622939 0.85 MCHR1 (0.45) MCHR1
SCHEMBL4456061 0.84 MCHR1 (0.42) MCHR1
SCHEMBL4444373 0.82 MCHR1 (0.41) MCHR1CNR1CNR2
SCHEMBL4443651 0.76 MCHR1 (0.46) MCHR1
SCHEMBL13622680 0.76 MCHR1 (0.48) MCHR1SCD
SCHEMBL13622942 0.74 MCHR1 (0.46) MCHR1SCD
SCHEMBL13622717 0.73 MCHR1 (0.50) MCHR1HTR2CHTR2BSCD
SCHEMBL4455857 0.69 SLC6A2 (0.34) MCHR1HTR2CHTR2B

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