SCHEMBL13795823

SCHEMBL13795823

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(NC3CC3)c3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 0.79
▸ ADRA2A P08913 19/20 0.79
▸ NPY5R Q15761 17/20 0.79
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ AQP1 P29972 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
SCHEMBL13796797 0.92 MCHR1 (0.69) MCHR1ADRA2ANPY5R
SCHEMBL13796992 0.91 MCHR1 (0.82) MCHR1ADRA2ANPY5RALDH1A1MAPT
SCHEMBL13795902 0.91 MCHR1 (0.80) MCHR1ADRA2ANPY5RALDH1A1MAPT
SCHEMBL13795799 0.91 MCHR1 (0.80) MCHR1ADRA2ANPY5RALDH1A1MAPT
Hydrochloric Acid SCHEMBL3939621 0.91 MCHR1 (0.79) MCHR1ADRA2ANPY5RALDH1A1MAPT
SCHEMBL13796951 0.91 MCHR1 (0.79) MCHR1ADRA2ANPY5RALDH1A1MAPT
SCHEMBL14606992 0.91 MCHR1 (0.79) MCHR1ADRA2ANPY5RALDH1A1MAPT
SCHEMBL13796409 0.91 MCHR1 (0.79) MCHR1ADRA2ANPY5RALDH1A1MAPT
Hydrochloric Acid SCHEMBL3939624 0.91 MCHR1 (0.79) MCHR1ADRA2ANPY5RALDH1A1MAPT
SCHEMBL13796624 0.90 NPY5R (0.63) MCHR1ADRA2ANPY5RALDH1A1MAPT

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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