SCHEMBL13796444

SCHEMBL13796444

COCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 15/20 0.69
▸ SLC6A4 P31645 2/20 0.69
▸ ADRA2A P08913 6/20 0.49
▸ MCHR1 Q99705 5/20 0.49
▸ NPY1R P25929 2/20 0.49
▸ AQP1 P29972 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ACACB O00763 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 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
SCHEMBL13796628 0.91 NPY5R (0.55) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13795430 0.90 NPY5R (0.62) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL14606698 0.89 NPY5R (0.54) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13795408 0.89 NPY5R (0.53) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796664 0.89 NPY5R (0.53) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796984 0.89 NPY5R (0.75) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796748 0.89 NPY5R (0.72) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796765 0.88 NPY5R (0.53) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13796815 0.88 NPY5R (0.52) NPY5RSLC6A4ADRA2AMCHR1NPY1R
SCHEMBL13795622 0.88 NPY5R (0.64) NPY5RSLC6A4ADRA2AMCHR1NPY1R

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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