SCHEMBL13796770

SCHEMBL13796770

Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](CNc3nc(NCCc4ccc(S(N)(=O)=O)cc4)c4ccccc4n3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 1/20 0.61
▸ NPY5R Q15761 5/20 0.58
▸ SLC6A4 P31645 2/20 0.53
▸ MAPT P10636 3/20 0.51
▸ HMOX1 P09601 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ADRA2A P08913 2/20 0.48
▸ AQP1 P29972 2/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PSMD14 O00487 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL13795683 0.95 MRGPRX1 (0.65) MRGPRX1NPY5RSLC6A4MAPTALDH1A1
SCHEMBL13796773 0.92 NPY5R (0.61) MRGPRX1NPY5RSLC6A4MAPTHMOX1
SCHEMBL13796342 0.90 NPY5R (0.57) MRGPRX1NPY5RSLC6A4MAPTHMOX1
SCHEMBL13795920 0.88 NPY5R (0.64) NPY5RSLC6A4MAPTHMOX1ALDH1A1
SCHEMBL13796521 0.86 MRGPRX1 (0.56) MRGPRX1NPY5RSLC6A4MAPTALDH1A1
SCHEMBL13796334 0.86 NPY5R (0.64) NPY5RSLC6A4MAPTHMOX1ALDH1A1
SCHEMBL13796995 0.85 NPY5R (0.61) NPY5RSLC6A4MAPTHMOX1ALDH1A1
SCHEMBL13796315 0.85 NPY5R (0.52) MRGPRX1NPY5RSLC6A4MAPTHMOX1
SCHEMBL13795833 0.85 NPY5R (0.52) MRGPRX1NPY5RSLC6A4MAPTALDH1A1
SCHEMBL13795430 0.84 NPY5R (0.62) NPY5RSLC6A4MAPTHMOX1ALDH1A1

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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