SCHEMBL7005494

SCHEMBL7005494

CNCCCOC1CC[N]C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL7012799 0.89
SCHEMBL6043679 0.78
SCHEMBL7011691 0.76 ODC1 (0.31)
SCHEMBL7014955 0.75 SIGMAR1 (0.31) SIGMAR1
SCHEMBL8861057 0.75
SCHEMBL24608451 0.75 SIGMAR1 (0.39) HTR1BSIGMAR1
SCHEMBL12826258 0.73 SIGMAR1 (0.47) HTR1BSIGMAR1
SCHEMBL7007557 0.71
SCHEMBL24608025 0.70 HTR1B (0.32) HTR1BSIGMAR1
SCHEMBL7009718 0.70 RET (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP claimed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP claimed
EP-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
US-5889009-A ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP disclosed
US-5703081-A CELL ADHESION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed
US-5519024-A CELL ADHESION INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
EP-0614664-A1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 EP disclosed