SCHEMBL13796439

SCHEMBL13796439

NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 12/20 0.57
▸ SLC6A4 P31645 2/20 0.57
▸ AQP1 P29972 2/20 0.54
▸ ADRA2A P08913 5/20 0.52
▸ MCHR1 Q99705 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SOS1 Q07889 2/20 0.49
▸ BCDIN3D Q7Z5W3 1/20 0.46
▸ MRGPRX1 Q96LB2 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GBA1 P04062 1/20 0.43

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
SCHEMBL13795923 0.95 NPY5R (0.56) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795921 0.93 NPY5R (0.57) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796953 0.93 NPY5R (0.60) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796446 0.91 NPY5R (0.60) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13797023 0.90 NPY5R (0.60) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796976 0.90 NPY5R (0.58) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796980 0.89 NPY5R (0.54) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795716 0.88 NPY5R (0.58) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796950 0.88 NPY5R (0.57) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796984 0.88 NPY5R (0.75) NPY5RSLC6A4AQP1ADRA2AMCHR1

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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