SCHEMBL2170862

SCHEMBL2170862

O=[C]N1CC2CCC1C2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL25127409 0.76
SCHEMBL2171787 0.67 CHRNB2 (0.30)
SCHEMBL8946977 0.67
SCHEMBL2170868 0.62
SCHEMBL15726989 0.62
SCHEMBL13342475 0.62
SCHEMBL15090668 0.62
SCHEMBL22778538 0.62
SCHEMBL21744776 0.62
SCHEMBL19630923 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP claimed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
EP-0670310-B1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants LILLY CO ELI (US) 1998-09-02 EP claimed
US-5578574-A THROMBIN INHIBITORS OR ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1996-11-26 US claimed
EP-0672665-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP claimed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP claimed
US-5436229-A Di- and tripeptides as anticoagulants ELI LILLY AND COMPANY (US) 1995-07-25 US claimed
JP-7278092-A None JP disclosed
JP-7278095-A None JP 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-5578574-A THROMBIN INHIBITORS OR ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
JP-H07278092-A ANTITHROMBOTIC AGENT ELI LILLY & CO 1995-10-24 JP disclosed
JP-H07278095-A HYDROGENSULFITE ADDUCT OF ARGININE ALDEHYDE ELI LILLY & CO 1995-10-24 JP disclosed
EP-0672665-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP 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
US-5436229-A Di- and tripeptides as anticoagulants ELI LILLY AND COMPANY (US) 1995-07-25 US disclosed