SCHEMBL7014955

SCHEMBL7014955

CN(C)CCCOC1CC[N]C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7009718 0.89 RET (0.32)
SCHEMBL7012460 0.79 RET (0.30)
SCHEMBL6043679 0.78
SCHEMBL7012830 0.77 RET (0.33)
SCHEMBL7011691 0.76 ODC1 (0.31)
SCHEMBL8861057 0.75
SCHEMBL7005494 0.75 HTR1B (0.31) SIGMAR1
SCHEMBL11025643 0.73 SIGMAR1 (0.47) SIGMAR1ALDH1A1TSHRATMKDM4E
SCHEMBL7007557 0.71
SCHEMBL7012799 0.70

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