SCHEMBL6176732

SCHEMBL6176732

O=C(Nc1ccccc1)Oc1cc2cc(NC(=O)C3CCCCC3)ccc2n1Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 11/20 0.56
HPGD P15428 1/20 0.45
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
ENPP2 Q13822 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
SCHEMBL6019372 0.85 ECE1 (0.76) ECE1
SCHEMBL8337542 0.82 ECE1 (0.75) ECE1
SCHEMBL6175488 0.81 ECE1 (0.73) ECE1
SCHEMBL6175232 0.78 ECE1 (0.47) ECE1
SCHEMBL6177288 0.75 ECE1 (0.64) ECE1
SCHEMBL6175560 0.75 ECE1 (0.64) ECE1
SCHEMBL6174737 0.73 ECE1 (0.62) ECE1
SCHEMBL8360497 0.73 ECE1 (0.98) ECE1
SCHEMBL6174552 0.73 ECE1 (0.76) ECE1
SCHEMBL6175629 0.72 ECE1 (0.71) ECE1

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
EP-1432415-B1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-12-28 EP disclosed