SCHEMBL13796801

SCHEMBL13796801

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(Nc3cccc(F)c3)c3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 16/20 0.73
▸ NPY5R Q15761 16/20 0.73
▸ ADRA2A P08913 15/20 0.73
▸ AQP1 P29972 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46

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
SCHEMBL13796409 0.95 MCHR1 (0.79) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13795908 0.92 MCHR1 (0.70) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13796799 0.90 MCHR1 (0.73) MCHR1NPY5RADRA2AAQP1CNR1
SCHEMBL13795555 0.89 MCHR1 (0.71) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13796992 0.88 MCHR1 (0.82) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13795799 0.88 MCHR1 (0.80) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13795902 0.88 MCHR1 (0.80) MCHR1NPY5RADRA2AAQP1ALDH1A1
Hydrochloric Acid SCHEMBL3939624 0.87 MCHR1 (0.79) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13796951 0.87 MCHR1 (0.79) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL14606992 0.87 MCHR1 (0.79) MCHR1NPY5RADRA2AAQP1ALDH1A1

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 1 patent. 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
Send feedback