SCHEMBL9437720

SCHEMBL9437720

CCCN(CCCCc1ccc2c(c1)OCC(=O)N2C)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
HTR2C P28335 3/20 0.47
MAOB P27338 5/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
GABRA1 P14867 1/20 0.42
GABRA5 P31644 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL9437871 0.98 HTR1A (0.49) HTR1AHTR2CMAOBBCHEACHE
SCHEMBL9437875 0.96 HTR1A (0.47) HTR1AHTR2CMAOBBCHEACHE
SCHEMBL9437745 0.96 HTR1A (0.49) HTR1AHTR2CMAOBBCHEACHE
SCHEMBL9437713 0.94 HTR1A (0.45) HTR1AHTR2CMAOBBCHEACHE
SCHEMBL9437919 0.90 HTR1A (0.46) HTR1AHTR2CMAOBGABRA1GABRA5
SCHEMBL9437784 0.85 HTR1A (0.54) HTR1AHTR2CACHEGABRA1GABRA5
SCHEMBL9437879 0.83 HTR1A (0.52) HTR1AHTR2CACHEGABRA1GABRA5
SCHEMBL9593875 0.82 HTR1A (0.50) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437911 0.81 HTR1A (0.49) HTR1AHTR2CACHEGABRA1GABRA5
SCHEMBL9437723 0.81 HTR1A (0.52) HTR1AHTR2CACHEGABRA1GABRA5

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 3 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
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed