SCHEMBL13796973

SCHEMBL13796973

NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AQP1 P29972 2/20 0.66
▸ NPY5R Q15761 15/20 0.59
▸ ADRA2A P08913 6/20 0.59
▸ MCHR1 Q99705 5/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ SLC6A4 P31645 2/20 0.51
▸ SOS1 Q07889 2/20 0.48
▸ BCDIN3D Q7Z5W3 1/20 0.46
▸ MRGPRX1 Q96LB2 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
SCHEMBL13796460 0.94 AQP1 (0.63) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796449 0.90 NPY5R (0.74) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796443 0.90 NPY5R (0.60) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13795948 0.90 AQP1 (0.69) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796529 0.88 AQP1 (0.66) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796446 0.88 NPY5R (0.60) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13797006 0.87 AQP1 (0.53) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796976 0.87 NPY5R (0.58) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796949 0.87 AQP1 (0.65) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796975 0.86 NPY5R (0.57) AQP1NPY5RADRA2AMCHR1ALDH1A1

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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