SCHEMBL6601174

SCHEMBL6601174

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

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 0.77
▸ ADRA2A P08913 19/20 0.77
▸ NPY5R Q15761 12/20 0.77
▸ HTR1A P08908 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ HTR2B P41595 1/20 0.47

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
SCHEMBL6608083 0.90 ADRA2A (0.78) MCHR1ADRA2ANPY5R
SCHEMBL3937577 0.87 MCHR1 (1.00) MCHR1ADRA2ANPY5R
SCHEMBL3943763 0.87 MCHR1 (1.00) MCHR1ADRA2ANPY5R
SCHEMBL3937579 0.87 MCHR1 (1.00) MCHR1ADRA2ANPY5R
SCHEMBL6601170 0.85 MCHR1 (0.88) MCHR1ADRA2ANPY5R
SCHEMBL3940717 0.85 MCHR1 (0.81) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL3940720 0.85 MCHR1 (0.81) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792936 0.84 MCHR1 (0.82) MCHR1ADRA2ANPY5RHTR1AADRA1A
Hydrochloric Acid SCHEMBL6612076 0.82 ADRA2A (0.79) MCHR1ADRA2ANPY5R
SCHEMBL13793721 0.81 MCHR1 (0.73) MCHR1ADRA2ANPY5RHTR1AADRA1A

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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