SCHEMBL7285272

SCHEMBL7285272

CN(C)CCCCCCCCC=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
ALDH1A1 P00352 1/20 0.58
DNM1 Q05193 3/20 0.48
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
HIF1A Q16665 1/20 0.45
KDM4A O75164 3/20 0.39
KDM4C Q9H3R0 3/20 0.39
KDM4E B2RXH2 1/20 0.37
PAOX Q6QHF9 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 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
SCHEMBL334434 1.00 TSHR (0.58) TSHRALDH1A1DNM1FAAHTRPV1
SCHEMBL7282265 1.00 TSHR (0.58) TSHRALDH1A1DNM1FAAHTRPV1
SCHEMBL7294715 1.00 TSHR (0.58) TSHRALDH1A1DNM1FAAHTRPV1
SCHEMBL7284860 1.00 TSHR (0.58) TSHRALDH1A1DNM1FAAHTRPV1
SCHEMBL7291004 1.00 TSHR (0.58) TSHRALDH1A1DNM1FAAHTRPV1
SCHEMBL18807792 1.00 TSHR (0.58) TSHRALDH1A1DNM1FAAHTRPV1
SCHEMBL951795 1.00 TSHR (0.58) TSHRALDH1A1DNM1FAAHTRPV1
Iodide SCHEMBL25402951 0.97 TSHR (0.55) TSHRALDH1A1DNM1FAAHTRPV1
SCHEMBL5226044 0.97 TSHR (0.55) TSHRALDH1A1DNM1FAAHTRPV1
Bromide SCHEMBL25406243 0.97 TSHR (0.55) TSHRALDH1A1DNM1FAAHTRPV1

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 15 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-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