SCHEMBL8528808

SCHEMBL8528808

[CH2]SCc1nc[nH]c1CCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 3/20 0.33
PDK4 Q16654 2/20 0.31
PAK1 Q13153 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
GABRR1 P24046 1/20 0.30

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
SCHEMBL8531406 0.87 L3MBTL1 (0.34) HRH2HRH1HRH4HRH3TDP1
SCHEMBL8528811 0.83 HRH3 (0.36) HRH2HRH1HRH4HRH3TDP1
SCHEMBL28285468 0.80 HRH3 (0.42) HRH2HRH1HRH4HRH3TDP1
SCHEMBL7312965 0.75 HRH3 (0.38) HRH2HRH1HRH4HRH3TDP1
SCHEMBL8528267 0.75
Hydrochloric Acid SCHEMBL7313845 0.73 TDP1 (0.40) HRH2HRH1HRH4HRH3TDP1
SCHEMBL14290737 0.72 HRH3 (0.39) HRH2HRH1HRH4HRH3TDP1
SCHEMBL10728091 0.71 HRH3 (0.47) HRH2HRH1HRH4HRH3TDP1
SCHEMBL8528671 0.70 L3MBTL1 (0.33) HRH2HRH1HRH4HRH3TDP1
SCHEMBL721194 0.69 HRH3 (0.41) HRH2HRH1HRH4HRH3TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed