SCHEMBL9868433

SCHEMBL9868433

O=C(O)C1CCc2ccccc2N1.O=C(O)C1Cc2ccccc2N1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.81
MAPT P10636 1/20 0.81
SMYD3 Q9H7B4 1/20 0.52
MME P08473 10/20 0.45
ACE P12821 5/20 0.45
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
DRD3 P35462 2/20 0.44
MTNR1A P48039 2/20 0.44
MASP2 O00187 1/20 0.41
F2 P00734 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
SCHEMBL29831598 0.94 GAA (0.69) GAAMAPTSMYD3MMEACE
SCHEMBL1531662 0.94 GAA (0.69) GAAMAPTSMYD3MMEACE
SCHEMBL444953 0.94 GAA (0.69) GAAMAPTSMYD3MMEACE
SCHEMBL1150614 0.94 GAA (0.69) GAAMAPTSMYD3MMEACE
Hydrochloric Acid SCHEMBL3157936 0.92 GAA (0.67) GAAMAPTSMYD3MMEACE
Hydrochloric Acid SCHEMBL11050093 0.92 GAA (0.67) GAAMAPTSMYD3MMEACE
SCHEMBL28114455 0.92 GAA (0.67) GAAMAPTSMYD3MMEACE
Hydrochloric Acid SCHEMBL11047643 0.92 GAA (0.67) GAAMAPTSMYD3MMEACE
SCHEMBL91080 0.90 GAA (1.00) GAAMAPTSMYD3MMEACE
SCHEMBL29495388 0.90 GAA (1.00) GAAMAPTSMYD3MMEACE

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-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 US disclosed