SCHEMBL6424629

SCHEMBL6424629

NCc1ccc(N2CCN=C2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.61
LOXL2 Q9Y4K0 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
ABAT P80404 1/20 0.34

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
SCHEMBL725564 0.76 SIGMAR1 (1.00) SIGMAR1
Bromide SCHEMBL4392392 0.75 SIGMAR1 (1.00) SIGMAR1
SCHEMBL18606184 0.73 SIGMAR1 (0.59) SIGMAR1
SCHEMBL19380245 0.69 TAAR1 (0.44) SIGMAR1LOXL2
SCHEMBL12294725 0.69 HRH3 (0.48) LOXL2HRH3ABAT
SCHEMBL28945126 0.67 LOXL2 (0.39) LOXL2HRH3ABAT
SCHEMBL28945130 0.67 SIGMAR1 (0.61) SIGMAR1
SCHEMBL30239452 0.67 LOXL2 (0.39) LOXL2HRH3ABAT
SCHEMBL3864241 0.66 F10 (0.60)
SCHEMBL112580 0.66 ALDH1A1 (0.54)

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-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed