SCHEMBL6637877

SCHEMBL6637877

c1cc2[nH]c(-c3ccc(OCCN4CCCC4)cc3)cc2cn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.62
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
CLK2 P49760 2/20 0.55
CLK3 P49761 2/20 0.55
DYRK1A Q13627 2/20 0.55
LTA4H P09960 5/20 0.53
ACHE P22303 6/20 0.52
PTGS2 P35354 1/20 0.51
BRAF P15056 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
KDR P35968 1/20 0.48

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
SCHEMBL6636304 0.91 CLK2 (0.65) HRH3DRD2DRD3CLK2CLK3
SCHEMBL6534972 0.83 HRH3 (0.86) HRH3DRD2DRD3LTA4HACHE
SCHEMBL18450584 0.80 CLK2 (0.60) HRH3DRD2DRD3CLK2CLK3
SCHEMBL18444329 0.79 CLK2 (0.87) CLK2CLK3DYRK1A
SCHEMBL6301198 0.77 HRH3 (1.00) HRH3LTA4HACHEKDR
SCHEMBL18440006 0.77 CLK2 (0.70) CLK2CLK3DYRK1A
SCHEMBL18437212 0.77 CLK2 (0.72) DRD2DRD3CLK2CLK3DYRK1A
SCHEMBL20421588 0.77 CLK2 (0.74) DRD2DRD3CLK2CLK3DYRK1A
SCHEMBL14115608 0.73 KDM4E (0.63) ACHE
SCHEMBL25059331 0.72 LTA4H (0.87) HRH3LTA4HPTGS2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997465-B1 Azaindole derivatives and their use as antithrombotic agents LILLY CO ELI (US) 2004-02-04 EP disclosed
US-6359136-B1 AZAINDOLE COMPOUND ELI LILLY AND COMPANY 2002-03-19 US disclosed
US-6265416-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-07-24 US disclosed
EP-0997465-A1 Azaindole derivatives and their use as antithrombotic agents ELI LILLY AND COMPANY (US) 2000-05-03 EP disclosed