SCHEMBL13797258

SCHEMBL13797258

CN(C)c1nc(NC[C@H]2CC[C@@H](NCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.85
ADRA2A P08913 18/20 0.85
NPY5R Q15761 14/20 0.85

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
SCHEMBL13794151 1.00 MCHR1 (0.85) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL3939248 0.99 MCHR1 (0.84) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL3939250 0.99 MCHR1 (0.84) MCHR1ADRA2ANPY5R
SCHEMBL3938796 0.92 MCHR1 (1.00) MCHR1ADRA2ANPY5R
SCHEMBL3938794 0.92 MCHR1 (1.00) MCHR1ADRA2ANPY5R
SCHEMBL3937209 0.90 MCHR1 (1.00) MCHR1ADRA2ANPY5R
SCHEMBL3937207 0.90 MCHR1 (1.00) MCHR1ADRA2ANPY5R
SCHEMBL13793961 0.90 MCHR1 (1.00) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL3940209 0.90 MCHR1 (0.98) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL3940211 0.90 MCHR1 (0.98) 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