SCHEMBL4641377

SCHEMBL4641377

CN(C)CCN(C)c1nc2ccc(NC(=O)Oc3ccc(-c4ccc(OC(F)(F)F)cc4Cl)cc3)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.45
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMPRSS15 P98073 3/20 0.41
CTSD P07339 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK1D P48730 1/20 0.40
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4647202 0.92 CACNA1B (0.44) MCHR1TMPRSS15CSNK1DCACNA1HCACNA1B
SCHEMBL5247640 0.91 MCHR1 (0.54) MCHR1CHRM2ADRA2ACHRM1ADRA2B
SCHEMBL4641406 0.91 MAPT (0.42) MCHR1TMPRSS15CTSD
SCHEMBL4643663 0.90 ALDH1A1 (0.46) MCHR1TMPRSS15
SCHEMBL4643578 0.90 MCHR1 (0.44) MCHR1HTR2CTMPRSS15
SCHEMBL4641593 0.89 MAPT (0.46) MCHR1TMPRSS15
SCHEMBL4643026 0.87 MCHR1 (0.42) MCHR1TMPRSS15
SCHEMBL4643038 0.85 MCHR1 (0.48) MCHR1HTR2CTMPRSS15
SCHEMBL4645813 0.84 TMPRSS15 (0.41) MCHR1TMPRSS15
SCHEMBL4641355 0.83 ALDH1A1 (0.44) TMPRSS15CACNA1B

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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed