SCHEMBL210457

SCHEMBL210457

CCCCNC[C]=O

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
SCHEMBL1140581 0.92
SCHEMBL1740597 0.90 TSHR (0.57)
SCHEMBL1462497 0.90 TSHR (0.57)
SCHEMBL1046393 0.82
Carbon Dioxide SCHEMBL27855338 0.82 TSHR (0.61)
SCHEMBL3030506 0.79 TSHR (0.50)
SCHEMBL2386778 0.79
SCHEMBL2157500 0.78 TSHR (0.73)
SCHEMBL28108658 0.78 TSHR (0.55)
SCHEMBL7672983 0.77 TSHR (0.55)

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4508413-B2 2010-07-21 JP claimed
EP-2170831-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS Otsuka Pharmaceutical Co., Ltd. (JP) 2010-04-07 EP claimed
WO-2009001968-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-31 WO claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1021200-A1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP claimed
EP-0981358-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP claimed
US-5939527-A SYNTHETIC OLIGOPEPTIDE WITH BIOLOGICAL ACTIVITY OF DOLASTATIN FROM SEA HARE BASF AKTIENGESELLSCHAFT (DE) 1999-08-17 US claimed
WO-1999017709-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO claimed
EP-0871656-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1998-10-21 EP claimed
EP-0866800-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-30 EP claimed
WO-1998040092-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO claimed
US-5741892-A Pentapeptides as antitumor agents BASF AKTIENGESELLSCHAFT (DE) 1998-04-21 US claimed
EP-0832104-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1998-04-01 EP claimed
WO-1997022621-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO claimed
WO-1996040751-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1996-12-19 WO claimed
WO-1996040752-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1996-12-19 WO claimed
EP-0642530-A1 DERIVATIVES OF DOLASTATIN BASF Aktiengesellschaft (DE) 1995-03-15 EP claimed
WO-1993023424-A1 DERIVATIVES OF DOLASTATIN BASF AKTIENGESELLSCHAFT (DE) 1993-11-25 WO claimed