SCHEMBL7292979

SCHEMBL7292979

CNCCCCCCCCC=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
EPHX1 P07099 2/20 0.48
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
HIF1A Q16665 1/20 0.45
ADH1B P00325 3/20 0.42
ADH1A P07327 3/20 0.42
ADH7 P40394 3/20 0.42
ADH1C P00326 2/20 0.42
ADH4 P08319 1/20 0.42
PAOX Q6QHF9 1/20 0.40
SIGMAR1 Q99720 2/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL7380826 1.00
SCHEMBL7293332 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL13624929 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL7291233 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL7282574 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL7284997 1.00 TSHR (0.52) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL3641708 0.97
SCHEMBL2191952 0.89
Acetic Acid SCHEMBL30784711 0.89 TSHR (0.43) TSHREPHX1FAAHTRPV1HIF1A
SCHEMBL18900753 0.83 FAAH (0.58) TSHREPHX1FAAHTRPV1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 US disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0490259-A2 Aminoacid and peptid derivatives with renin inhibiting properties MERCK PATENT GmbH (DE) 1992-06-17 EP disclosed
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0474008-A1 Amino acid derivatives MERCK PATENT GmbH (DE) 1992-03-11 EP disclosed
EP-0464517-A2 Amino acid derivatives with renin inhibiting activity MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0418696-A2 Derivatives of aminoacids MERCK PATENT GmbH (DE) 1991-03-27 EP disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed