SCHEMBL13796509

SCHEMBL13796509

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(NCC3CCCCC3)c3ccccc3n2)CC1)c1cc(Cl)sc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AQP1 P29972 2/20 0.54
▸ NPY5R Q15761 12/20 0.53
▸ ADRA2A P08913 6/20 0.53
▸ MCHR1 Q99705 5/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SLC6A4 P31645 2/20 0.49
▸ APP P05067 1/20 0.48
▸ SOS1 Q07889 2/20 0.48
▸ BCL2L1 Q07817 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ TRIM58 Q8NG06 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
SCHEMBL13796834 0.90 AQP1 (0.55) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796840 0.90 AQP1 (0.53) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796051 0.89 NPY5R (0.55) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796050 0.87 AQP1 (0.51) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796845 0.87 NPY5R (0.53) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796841 0.85 AQP1 (0.49) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796073 0.85 AQP1 (0.52) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13795592 0.84 NPY5R (0.74) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13795681 0.84 NPY5R (0.50) AQP1NPY5RADRA2AMCHR1ALDH1A1
SCHEMBL13796838 0.84 NPY5R (0.68) 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 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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