SCHEMBL13796199

SCHEMBL13796199

CCN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 19/20 0.87
▸ ADRA2A P08913 19/20 0.87
▸ NPY5R Q15761 17/20 0.87

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
SCHEMBL3941081 0.93 ADRA2A (1.00) MCHR1ADRA2ANPY5R
SCHEMBL3938377 0.93 ADRA2A (1.00) MCHR1ADRA2ANPY5R
SCHEMBL3938380 0.93 ADRA2A (1.00) MCHR1ADRA2ANPY5R
SCHEMBL13796396 0.93 MCHR1 (0.85) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL3939654 0.92 MCHR1 (1.00) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL3939657 0.92 MCHR1 (1.00) MCHR1ADRA2ANPY5R
SCHEMBL13796899 0.91 MCHR1 (0.71) MCHR1ADRA2ANPY5R
SCHEMBL13796398 0.88 MCHR1 (0.77) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL6612074 0.86 ADRA2A (0.88) MCHR1ADRA2ANPY5R
SCHEMBL13795799 0.86 MCHR1 (0.80) MCHR1ADRA2ANPY5R

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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
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