SCHEMBL4294889

SCHEMBL4294889

CS(=O)(=O)NCCN1CCC(CCn2cc(C(=O)O)c3ccccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.61
CYP2C9 P11712 2/20 0.61
CYP1A2 P05177 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
PMP22 Q01453 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KCNH2 Q12809 2/20 0.51
CNR2 P34972 6/20 0.48
CNR1 P21554 5/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
PLK1 P53350 2/20 0.45
KDM1A O60341 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7301718 0.91 HTR4 (0.62) HTR4CYP2C9CYP1A2ALOX15NFKB1
SCHEMBL7308948 0.89 HTR4 (0.49) HTR4CYP2C9CYP1A2ALOX15NFKB1
SCHEMBL7310095 0.83 CNR2 (0.47) HTR4CYP2C9CYP1A2ALOX15NFKB1
SCHEMBL7305753 0.79 CNR1 (0.52) HTR4CYP2C9CYP1A2ALOX15NFKB1
SCHEMBL9704182 0.78 HTR4 (0.63) HTR4CYP2C9CYP1A2ALOX15NFKB1
SCHEMBL7305923 0.78 CNR1 (0.50) HTR4CYP2C9CYP1A2ALOX15NFKB1
SCHEMBL9543051 0.76 CNR2 (0.52) CNR2CNR1HRH2
SCHEMBL1502039 0.76 HTR4 (1.00) HTR4CYP2C9CYP1A2ALOX15NFKB1
SCHEMBL29397805 0.76 HTR4 (1.00) HTR4CYP2C9CYP1A2ALOX15NFKB1
SCHEMBL4294891 0.75 HTR4 (0.55) HTR4CYP2C9CYP1A2ALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992014727-A1 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES GLAXO GROUP LIMITED (GB) 1992-09-03 WO claimed
US-8829028-B2 5-HT4 receptor antagonists for the treatment of heart failure SERODUS AS (NO) 2014-09-09 US disclosed
US-20090169545-A1 5-HT4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF HEART FAILURE SERODUS AS (NO) 2009-07-02 US disclosed
US-20060094715-A1 5-Ht4 receptor antagonists for the treatment of heart failure SERODUS AS (NO) 2006-05-04 US disclosed