SCHEMBL13796975

SCHEMBL13796975

NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 14/20 0.57
▸ ADRA2A P08913 6/20 0.57
▸ MCHR1 Q99705 5/20 0.57
▸ NPY1R P25929 3/20 0.57
▸ AQP1 P29972 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ SLC6A4 P31645 2/20 0.49
▸ TLR7 Q9NYK1 1/20 0.48
▸ CNR2 P34972 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ BCDIN3D Q7Z5W3 1/20 0.42
▸ SOS1 Q07889 1/20 0.42

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
SCHEMBL13797014 0.94 NPY5R (0.54) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796942 0.93 NPY5R (0.60) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796988 0.90 NPY5R (0.59) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796530 0.88 NPY5R (0.57) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796680 0.88 NPY5R (0.64) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL14606897 0.88 NPY5R (0.56) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796919 0.88 NPY5R (0.56) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796626 0.88 NPY5R (0.56) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796449 0.87 NPY5R (0.74) NPY5RADRA2AMCHR1NPY1RAQP1
SCHEMBL13796443 0.87 NPY5R (0.60) NPY5RADRA2AMCHR1NPY1RAQP1

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
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