SCHEMBL8527744

SCHEMBL8527744

[CH2]c1cn(CP(=O)(OC)OC)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.38
GAA P10253 1/20 0.37
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KAT2B Q92831 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8531617 0.85 NR4A2 (0.37) NR4A2NPSR1POLBLMNAL3MBTL1
SCHEMBL8527751 0.83 MEN1 (0.49) NR4A2GAACNR2CNR1POLB
SCHEMBL8526982 0.80 GGPS1 (0.38) NR4A2LMNAL3MBTL1MEN1KMT2A
SCHEMBL4603995 0.76 NPSR1 (0.57) CNR2CNR1NPSR1POLBLMNA
SCHEMBL4604311 0.74 CNR2 (0.55) CNR2CNR1NPSR1LMNATSHR
SCHEMBL3621031 0.73 NR4A2 (0.50) NR4A2POLBLMNASMN1; SMN2MEN1
SCHEMBL8530790 0.73 KMT2A (0.36) NR4A2LMNAL3MBTL1SMN1; SMN2MEN1
SCHEMBL8531842 0.73 GAA (0.68) NR4A2GAANPSR1POLBLMNA
SCHEMBL8527737 0.71 S1PR1 (0.43) CNR2CNR1NPSR1KMT2A
SCHEMBL8612789 0.70 CNR2 (0.50) GAACNR2CNR1POLB

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