SCHEMBL4850083

SCHEMBL4850083

CCOC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.78
KDM4E B2RXH2 8/20 0.78
L3MBTL1 Q9Y468 3/20 0.77
ATM Q13315 1/20 0.77
TDP1 Q9NUW8 2/20 0.72
POLB P06746 1/20 0.69
GAA P10253 2/20 0.67
TSHR P16473 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAPK1 P28482 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63

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
SCHEMBL8250801 0.91 ALDH1A1 (0.80) ALDH1A1KDM4EL3MBTL1ATMTDP1
SCHEMBL5178089 0.89 ALDH1A1 (0.77) ALDH1A1KDM4EL3MBTL1ATMTDP1
SCHEMBL1946258 0.89 L3MBTL1 (0.86) ALDH1A1KDM4EL3MBTL1ATMTDP1
SCHEMBL3701693 0.88 ALDH1A1 (0.83) ALDH1A1KDM4EL3MBTL1ATMTDP1
Bromide SCHEMBL10462008 0.88 L3MBTL1 (0.84) ALDH1A1KDM4EL3MBTL1ATMTDP1
SCHEMBL10016602 0.87 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1ATMTDP1
Hydrochloric Acid SCHEMBL8545412 0.87 ALDH1A1 (0.81) ALDH1A1KDM4EL3MBTL1ATMTDP1
SCHEMBL30364399 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EL3MBTL1ATMTDP1
Cadaverine Tartrate SCHEMBL27494555 0.85 L3MBTL1 (0.76) ALDH1A1KDM4EL3MBTL1ATMTDP1
SCHEMBL6093231 0.84 KDM4E (0.77) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2

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
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed