SCHEMBL7940106

SCHEMBL7940106

CC(N)C(I)OCc1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
MAOA P21397 3/20 0.41
CYP19A1 P11511 1/20 0.40
ADRB2 P07550 4/20 0.37
APP P05067 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
ABHD6 Q9BV23 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL7553211 0.83 MAOB (0.43) MAOBMAOACYP19A1ADRB2MRGPRX4
SCHEMBL18217414 0.81 MAOB (0.47) MAOBMAOACYP19A1ADRB2MRGPRX4
SCHEMBL11210106 0.81 MAOB (0.47) MAOBMAOACYP19A1ADRB2MRGPRX4
SCHEMBL7600364 0.75 TACR1 (0.46) MAOBMAOACYP19A1TAAR1SLC6A2
SCHEMBL14886811 0.72 MAOB (0.42) MAOBMAOACYP19A1ADRB2MRGPRX4
SCHEMBL11059954 0.71 PNMT (0.62) MAOBMAOACYP19A1ADRB2TAAR1
SCHEMBL30601044 0.71 MAOB (0.52) MAOBMAOACYP19A1MRGPRX4ACHE
SCHEMBL633486 0.71 MAOB (0.52) MAOBMAOACYP19A1MRGPRX4ACHE
SCHEMBL951869 0.71 PNMT (0.62) MAOBMAOACYP19A1ADRB2TAAR1
SCHEMBL11056699 0.71 PNMT (0.62) MAOBMAOACYP19A1ADRB2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262124-B1 FOR ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS, FOR EXAMPLE, AS AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES; FOR THERAPY OF DYSFUNCTION OF THE CENTRAL AND AUTONOMIC NERVOUS SYSTEMS TARGACEPT, INC., A CORPORATION OF DELAWARE 2001-07-17 US disclosed