SCHEMBL13796985

SCHEMBL13796985

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

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.80
▸ NPY5R Q15761 17/20 0.80
▸ ADRA2A P08913 16/20 0.80
▸ AQP1 P29972 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SLC6A4 P31645 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
SCHEMBL13796465 0.95 MCHR1 (0.77) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13795901 0.92 MCHR1 (0.78) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13796992 0.92 MCHR1 (0.82) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13796763 0.91 MCHR1 (0.75) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13795902 0.91 MCHR1 (0.80) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13795799 0.91 MCHR1 (0.80) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13796680 0.90 NPY5R (0.64) MCHR1NPY5RADRA2AAQP1ALDH1A1
Hydrochloric Acid SCHEMBL3939621 0.90 MCHR1 (0.79) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL14606992 0.90 MCHR1 (0.79) MCHR1NPY5RADRA2AAQP1ALDH1A1
SCHEMBL13796951 0.90 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 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