SCHEMBL7155681

SCHEMBL7155681

CC(=O)N1CCc2ccccc2C1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.49
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
ACE P12821 2/20 0.44
NOTUM Q6P988 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
DRD2 P14416 3/20 0.40
DRD1 P21728 1/20 0.40
MTNR1A P48039 1/20 0.40
XIAP P98170 1/20 0.39

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
SCHEMBL7146356 0.87 GHSR (0.43) MTNR1BACETRPM8DRD2MTNR1A
SCHEMBL25142645 0.82 GHSR (0.47) ACETRPM8
SCHEMBL30310636 0.79 ACE (0.56) MTNR1BACE
SCHEMBL29560869 0.79 ACE (0.56) MTNR1BACE
SCHEMBL18711701 0.79 TRPM8 (0.51) MTNR1BPDK1PDK2ACENOTUM
SCHEMBL605316 0.79 ACE (0.56) MTNR1BACE
SCHEMBL14744581 0.79 ACE (0.56) MTNR1BACE
SCHEMBL18066415 0.79 ACE (0.56) MTNR1BACE
SCHEMBL6608138 0.78 GHSR (0.46) ACE
SCHEMBL18787606 0.78 GHSR (0.47) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP disclosed
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP disclosed
US-5914319-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1999-06-22 US disclosed
EP-0670310-B1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants LILLY CO ELI (US) 1998-09-02 EP disclosed
US-5726159-A PEPTIDE THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 1998-03-10 US disclosed
US-5710130-A HETEROCYCLIC SYNTHETIC PEPTIDES ELI LILLY AND COMPANY (US) 1998-01-20 US disclosed
US-5707966-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
US-5705487-A PEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-01-06 US disclosed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP disclosed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP disclosed