SCHEMBL8337114

SCHEMBL8337114

O=C(CC1CC2CCC1C2)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 20/20 1.00

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
SCHEMBL8334700 0.92 ECE1 (0.85) ECE1
SCHEMBL6019297 0.85 ECE1 (0.74) ECE1
SCHEMBL6020357 0.84 ECE1 (0.73) ECE1
SCHEMBL8360497 0.84 ECE1 (0.98) ECE1
SCHEMBL8330085 0.83 ECE1 (0.85) ECE1
SCHEMBL8362936 0.82 ECE1 (0.79) ECE1
SCHEMBL8337542 0.80 ECE1 (0.75) ECE1
SCHEMBL6020407 0.79 ECE1 (0.73) ECE1
SCHEMBL6019372 0.79 ECE1 (0.76) ECE1
SCHEMBL6020370 0.79 ECE1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004056768-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2004-07-08 WO disclosed
WO-2003028719-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2003-04-10 WO disclosed