SCHEMBL13796951

SCHEMBL13796951

CC(C)(C)Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 19/20 0.79
▸ ADRA2A P08913 18/20 0.79
▸ NPY5R Q15761 17/20 0.79
▸ AQP1 P29972 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ TDP1 Q9NUW8 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
SCHEMBL14606992 1.00 MCHR1 (0.79) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13795799 0.93 MCHR1 (0.80) MCHR1ADRA2ANPY5RAQP1ALDH1A1
Hydrochloric Acid SCHEMBL3939624 0.92 MCHR1 (0.79) MCHR1ADRA2ANPY5RAQP1ALDH1A1
Hydrochloric Acid SCHEMBL3939621 0.92 MCHR1 (0.79) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796992 0.91 MCHR1 (0.82) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13795902 0.91 MCHR1 (0.80) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796913 0.91 MCHR1 (0.76) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13795823 0.91 MCHR1 (0.79) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796409 0.91 MCHR1 (0.79) MCHR1ADRA2ANPY5RAQP1ALDH1A1
SCHEMBL13796264 0.90 NPY5R (0.63) MCHR1ADRA2ANPY5RAQP1ALDH1A1

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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