SCHEMBL4710603

SCHEMBL4710603

CNc1nccn2c(-c3ccc(NC(=O)NCCCN4CCCC4)cc3)cnc12.O=C(NCCCN1CCOCC1)Nc1ccc(-c2cnc3c(NC4CC4)nccn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TTK P33981 11/20 0.46
▸ CHRNA7 P36544 2/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAPKAPK5 Q8IW41 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
SCHEMBL5398230 0.94 SMN1; SMN2 (0.51) MAPTSMN1; SMN2TTKPDGFRBFLT1
SCHEMBL4655966 0.92 SMN1; SMN2 (0.56) MAPTSMN1; SMN2TTKCHRNA7PDGFRB
SCHEMBL4712833 0.92 TTK (0.50) MAPTTTKCHRNA7
SCHEMBL5399718 0.90 TTK (0.52) SMN1; SMN2TTKMAPKAPK5
SCHEMBL5394669 0.89 TTK (0.54) MAPTSMN1; SMN2TTKCHRNA7PDGFRB
SCHEMBL5416181 0.87 TTK (0.51) TTKCHRNA7
SCHEMBL5394670 0.87 TTK (0.54) MAPTSMN1; SMN2TTKMAPKAPK5
SCHEMBL5404932 0.85 TTK (0.56) MAPTTTKCHRNA7
SCHEMBL5396618 0.83 SMN1; SMN2 (0.48) MAPTSMN1; SMN2PDGFRBFLT1KDR
SCHEMBL5405328 0.81 CD274 (0.55) SMN1; SMN2TTK

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-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 — — EP claimed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 — — WO claimed
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 — — EP disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 — — WO disclosed
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