SCHEMBL6774093

SCHEMBL6774093

CCOC(=O)c1cc(OC)c(OCC2CCCCN2C)cc1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
EHMT2 Q96KQ7 1/20 0.46
MCHR1 Q99705 2/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR4 Q13639 3/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL1613999 0.82 HTR4 (0.47) EHMT2KDM4EHTR4ACHE
SCHEMBL6406771 0.79 HTR4 (0.50) KDM4EHTR4ACHE
SCHEMBL6336768 0.78 HTR4 (0.62) EHMT2HTR4GLACYP3A4ACHE
SCHEMBL8801798 0.77 HTR4 (0.64) HTR4GLACYP3A4ACHE
SCHEMBL3373962 0.77 KDM4E (0.69) KDM4EHTR4CYP3A4
SCHEMBL5500188 0.75 KDM4E (0.55) KDM4EHTR4CYP3A4
SCHEMBL8803953 0.74 HTR4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4HTR4
SCHEMBL26651130 0.72 KDM4E (0.62) KDM4EHTR4ACHE
SCHEMBL3534600 0.72 LMNA (0.51) KDM4EHTR4CYP3A4
SCHEMBL6442660 0.72 LMNA (0.51) KDM4EHTR4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed