SCHEMBL13796978

SCHEMBL13796978

CC(C)(C)OC(=O)NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 18/20 0.70
▸ ADRA2A P08913 17/20 0.70
▸ NPY5R Q15761 16/20 0.70
▸ ACACB O00763 2/20 0.52

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
SCHEMBL13795905 0.96 MCHR1 (0.69) MCHR1ADRA2ANPY5RACACB
SCHEMBL13796958 0.91 NPY5R (0.57) MCHR1ADRA2ANPY5RACACB
SCHEMBL14606620 0.91 NPY5R (0.57) MCHR1ADRA2ANPY5RACACB
SCHEMBL13795901 0.89 MCHR1 (0.78) MCHR1ADRA2ANPY5R
SCHEMBL13796763 0.88 MCHR1 (0.75) MCHR1ADRA2ANPY5R
SCHEMBL13796985 0.88 MCHR1 (0.80) MCHR1ADRA2ANPY5R
SCHEMBL13796642 0.88 ACACB (0.53) MCHR1ADRA2ANPY5RACACB
SCHEMBL13796969 0.88 ACACB (0.56) MCHR1ADRA2ANPY5RACACB
SCHEMBL13795799 0.88 MCHR1 (0.80) MCHR1ADRA2ANPY5R
SCHEMBL13796465 0.87 MCHR1 (0.77) 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
Send feedback