SCHEMBL7012463

SCHEMBL7012463

CN(C)CCOC1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
RET P07949 1/20 0.30
ROCK1 Q13464 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
SCHEMBL31209837 0.89 CHRM1 (0.37) CHRM2CHRM1CHRM3RET
SCHEMBL31209754 0.89 CHRM1 (0.37) CHRM2CHRM1CHRM3RET
SCHEMBL11530932 0.89 CHRM1 (0.37) CHRM2CHRM1CHRM3RET
SCHEMBL3008190 0.79 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL92495 0.79 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL12832331 0.78 NPC1 (0.39) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL19959235 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL1555763 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL14369076 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL78257 0.77 SLC6A2 (0.33) RET

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 6 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
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-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