SCHEMBL7291983

SCHEMBL7291983

O=[C]CN1CCC(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
BCHE P06276 1/20 0.37
S1PR5 Q9H228 2/20 0.37
LTA4H P09960 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL19897465 0.88 S1PR5 (0.44) SMN1; SMN2S1PR5LTA4HS1PR4S1PR1
SCHEMBL19897448 0.88 S1PR5 (0.44) SMN1; SMN2S1PR5LTA4HS1PR4S1PR1
SCHEMBL19897462 0.88 S1PR5 (0.44) SMN1; SMN2S1PR5LTA4HS1PR4S1PR1
SCHEMBL13891403 0.83 BCHE (0.51) L3MBTL1SMN1; SMN2BCHENPC1RAB9A
SCHEMBL8178337 0.82 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL14941157 0.82 SMN1; SMN2 (0.60) L3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL13956309 0.79 SMN1; SMN2 (0.39) L3MBTL1SMN1; SMN2LMNAKDM4EBCHE
SCHEMBL2353875 0.78 S1PR5 (0.41) S1PR5S1PR4S1PR1S1PR3
SCHEMBL19514340 0.78 LTA4H (0.47) L3MBTL1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL7283908 0.77 TP53 (0.50) L3MBTL1SMN1; SMN2LMNAKDM4ECYP2C19

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-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446751-A1 Glycolic acid derivatives 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