SCHEMBL22986

SCHEMBL22986

Cc1ccc(-c2cccc(CCCN)c2)cc1-c1cc(-c2cccc(CCCN)c2)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.58
TAAR1 Q96RJ0 4/20 0.43
MAOA P21397 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MAOB P27338 4/20 0.39
FFAR1 O14842 1/20 0.38
HTR6 P50406 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL10287769 0.90 HTR7 (0.71) HTR7TAAR1MAOB
SCHEMBL10279799 0.84 HTR7 (0.82) HTR7TAAR1MAOAFFAR1HTR6
SCHEMBL13958743 0.83 TAAR1 (0.50) HTR7TAAR1MAOAMAOBFFAR1
SCHEMBL15138999 0.82 MAOA (0.50) HTR7TAAR1MAOAMAOBHTR6
SCHEMBL13958745 0.81 TAAR1 (0.61) HTR7TAAR1MAOAFFAR1HTR6
SCHEMBL3191746 0.81 HTR7 (0.63) HTR7TAAR1MAOAFFAR1CYP2A6
SCHEMBL29706557 0.79 MAOA (0.57) HTR7TAAR1MAOAMAOBHTR6
SCHEMBL4035870 0.79 MAOA (0.57) HTR7TAAR1MAOAMAOBHTR6
SCHEMBL26313628 0.79 TAAR1 (0.49) HTR7TAAR1MAOAMAOBFFAR1
SCHEMBL3229152 0.78 MAOA (0.55) HTR7TAAR1MAOAMAOBHTR6

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
WO-2012027230-A1 FACIALLY AMPHIPHILIC COMPOUNDS, COMPOSITIONS, AND USES THEREOF IN TREATING CANCER POLYMEDIX, INC. (US) 2012-03-01 WO disclosed
WO-2012006315-A2 METHODS OF IMMUNE MODULATION POLYMEDIX, INC. (US) 2012-01-12 WO disclosed