SCHEMBL13795408

SCHEMBL13795408

COCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 11/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ PKM P14618 1/20 0.50
▸ AQP1 P29972 2/20 0.49
▸ MRGPRX1 Q96LB2 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ADRA2A P08913 6/20 0.48
▸ MCHR1 Q99705 5/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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 0.94 NPY5R (0.55) NPY5RSLC6A4AQP1KMT2AADRA2A
SCHEMBL13796815 0.92 NPY5R (0.52) NPY5RSLC6A4AQP1MRGPRX1ADRA2A
SCHEMBL13795430 0.92 NPY5R (0.62) NPY5RSLC6A4AQP1MEN1KMT2A
SCHEMBL13796664 0.91 NPY5R (0.53) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL14606698 0.90 NPY5R (0.54) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796765 0.89 NPY5R (0.53) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796444 0.89 NPY5R (0.69) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796976 0.88 NPY5R (0.58) NPY5RSLC6A4AQP1MRGPRX1MEN1
SCHEMBL13796760 0.87 NPY5R (0.58) NPY5RSLC6A4AQP1MRGPRX1MEN1
SCHEMBL13796330 0.87 MRGPRX1 (0.58) NPY5RSLC6A4AQP1MRGPRX1MEN1

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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