SCHEMBL7548586

SCHEMBL7548586

CNC(C)COCc1ccc(C)nc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.36
PLA2G7 Q13093 1/20 0.34
TACR1 P25103 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
SCHEMBL2609181 0.83 LMNA (0.41) MEN1LMNAKMT2AGAAPLA2G7
SCHEMBL7547886 0.78 CHRNB2 (0.46)
SCHEMBL7545392 0.78 CHRNB2 (0.46)
SCHEMBL487644 0.74 TSHR (0.39) MEN1LMNAKMT2AGAAPLA2G7
SCHEMBL7548902 0.74 CHRNB2 (0.41) MEN1LMNAKMT2AGAAPLA2G7
SCHEMBL25666197 0.73 TAAR1 (0.57) MEN1KMT2ATACR1
SCHEMBL21444695 0.73 TAAR1 (0.57) MEN1KMT2ATACR1
SCHEMBL14348154 0.73 MEN1 (0.43) MEN1LMNAKMT2AGAAPLA2G7
SCHEMBL7841404 0.71 PDE1B (0.39) MEN1LMNAKMT2AGAAPLA2G7
SCHEMBL7548604 0.71 NPC1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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