SCHEMBL7548902

SCHEMBL7548902

CNCCOCc1ccc(C)nc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
GAA P10253 1/20 0.41
PLA2G7 Q13093 1/20 0.38
HTR1B P28222 2/20 0.37
HTR1D P28221 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL20255422 0.82 CHRNB2 (0.37) CHRNB2CHRNA4HTR1BHTR1DLMNA
SCHEMBL21241056 0.79 APP (0.41) GAAPLA2G7MEN1LMNAKMT2A
SCHEMBL487644 0.77 TSHR (0.39) GAAPLA2G7MEN1LMNAKMT2A
SCHEMBL12402009 0.77 AGXT (0.47) HTR1BHTR1DTMEM97SIGMAR1
SCHEMBL12140714 0.77 GAA (0.58) GAAMEN1LMNAKMT2ATSHR
SCHEMBL7551451 0.77 CHRNB2 (0.57) CHRNB2CHRNA4MEN1KMT2AL3MBTL1
SCHEMBL21169049 0.77 MEN1 (0.40) GAAPLA2G7MEN1LMNAKMT2A
SCHEMBL7548586 0.74 MEN1 (0.38) GAAPLA2G7MEN1LMNAKMT2A
SCHEMBL7841404 0.74 PDE1B (0.39) GAAPLA2G7MEN1LMNAKMT2A
SCHEMBL20038389 0.74 GAA (0.51) GAAPLA2G7MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998706-B2 Pyrimidine nucleobases APPLIED BIOSYSTEMS, LLC (US) 2011-08-16 US disclosed
EP-1212301-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-06-12 EP disclosed
WO-2001016107-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-03-08 WO disclosed