SCHEMBL4294891

SCHEMBL4294891

Cn1c(CC2CCN(CCNS(C)(=O)=O)CC2)c(C(=O)O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KCNH2 Q12809 2/20 0.51
KDM1A O60341 1/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 1/20 0.43
PRMT6 Q96LA8 2/20 0.42
AGTR1 P30556 1/20 0.42
SLC6A4 P31645 1/20 0.41
CARM1 Q86X55 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTR7 P34969 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
Fumaric Acid SCHEMBL2942179 0.95 HTR4 (0.51) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7307824 0.94 HTR4 (0.49) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL9704182 0.92 HTR4 (0.63) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7308950 0.90 KDM1A (0.46) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7304868 0.87 SLC6A2 (0.47) SLC6A2SLC6A3PRMT6SLC6A4CARM1
SCHEMBL7303226 0.87 CYP2C9 (0.49) HTR4CYP1A2CYP2C9ALOX15NFKB1
SCHEMBL7300755 0.84 KDM4E (0.46) HTR4SLC6A2SLC6A3AGTR1KDM4E
SCHEMBL7309279 0.84 KDM1A (0.45) HTR4CYP1A2CYP2C9KDM1ASLC6A2
SCHEMBL7304670 0.83 KDM1A (0.46) KDM1AAGTR1KDM4EMAPTHTR7
SCHEMBL9341470 0.82 HTR4 (0.50) HTR4PMP22NPSR1KCNH2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501322-B1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LTD (GB) 1996-09-04 EP claimed
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