SCHEMBL6608083

SCHEMBL6608083

CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3Br)CC2)nc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 19/20 0.78
▸ MCHR1 Q99705 19/20 0.78
▸ NPY5R Q15761 15/20 0.78

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
Hydrochloric Acid SCHEMBL6612076 0.92 ADRA2A (0.79) ADRA2AMCHR1NPY5R
SCHEMBL6601174 0.90 MCHR1 (0.77) ADRA2AMCHR1NPY5R
SCHEMBL3937588 0.88 MCHR1 (1.00) ADRA2AMCHR1NPY5R
SCHEMBL3937587 0.88 MCHR1 (1.00) ADRA2AMCHR1NPY5R
SCHEMBL3938807 0.88 MCHR1 (1.00) ADRA2AMCHR1NPY5R
SCHEMBL6608079 0.86 MCHR1 (0.89) ADRA2AMCHR1NPY5R
SCHEMBL13793618 0.86 ADRA2A (0.83) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL3941816 0.85 ADRA2A (0.81) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL6604773 0.85 ADRA2A (0.81) ADRA2AMCHR1NPY5R
Hydrochloric Acid SCHEMBL6604770 0.85 ADRA2A (0.81) ADRA2AMCHR1NPY5R

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
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 — — EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 — — WO disclosed
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