SCHEMBL8528671

SCHEMBL8528671

[CH2]SCc1nc[nH]c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8528677 0.85 L3MBTL1 (0.35) L3MBTL1HRH2HRH1HRH4HRH3
SCHEMBL10052275 0.76 HRH2 (0.35) L3MBTL1HRH2HRH1HRH4HRH3
SCHEMBL11329931 0.75 GABRR1 (0.36) HRH2HRH1HRH4HRH3TDP1
SCHEMBL11319237 0.75 HRH2 (0.34) HRH2HRH1HRH4HRH3TDP1
SCHEMBL8528808 0.70 HRH2 (0.35) L3MBTL1HRH2HRH1HRH4HRH3
SCHEMBL11530311 0.66
SCHEMBL25159040 0.64 TP53 (0.41)
SCHEMBL20008191 0.63
SCHEMBL22334160 0.63
SCHEMBL25308252 0.63

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