SCHEMBL9437875

SCHEMBL9437875

CCCN(CCCCN1C(=O)c2ccccc2C1=O)CCc1ccc2c(c1)OCC(=O)N2C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.47
MAOB P27338 6/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
HTR2C P28335 3/20 0.44
GABRA1 P14867 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL9437713 0.97 HTR1A (0.45) HTR1AMAOBBCHEACHEHTR2C
SCHEMBL9437720 0.96 HTR1A (0.51) HTR1AMAOBBCHEACHEHTR2C
SCHEMBL9437871 0.94 HTR1A (0.49) HTR1AMAOBBCHEACHEHTR2C
SCHEMBL9437919 0.93 HTR1A (0.46) HTR1AMAOBHTR2CGABRA1GABRA5
SCHEMBL9437745 0.93 HTR1A (0.49) HTR1AMAOBBCHEACHEHTR2C
SCHEMBL9593875 0.86 HTR1A (0.50) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437846 0.81 HTR1A (0.46) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437784 0.81 HTR1A (0.54) HTR1AACHEHTR2CGABRA1GABRA5
SCHEMBL9437911 0.81 HTR1A (0.49) HTR1AACHEHTR2CGABRA1GABRA5
SCHEMBL9437801 0.81 HTR1A (0.40) HTR1AHTR2CGABRA1GABRA5

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
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed