SCHEMBL4361046

SCHEMBL4361046

CC(C)n1c(C(=O)N2CCOCC2C(=O)N2CCCC(N(C)C)C2)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 10/20 0.43
HTR4 Q13639 3/20 0.35
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4356795 0.78 POLB (0.50)
SCHEMBL3542599 0.76 KMT2A (0.48) PROKR1
SCHEMBL3540193 0.70 PROKR1 (0.45) PROKR1
SCHEMBL4366003 0.68 HRH3 (0.53)
SCHEMBL3539000 0.68 HRH3 (0.54) PROKR1
SCHEMBL27739826 0.68 HRH3 (0.40) PROKR1
SCHEMBL3540158 0.68 HRH3 (0.40) PROKR1
SCHEMBL3534607 0.66 ALDH1A1 (0.41) PROKR1
SCHEMBL4373527 0.66 HRH3 (0.44)
SCHEMBL4365923 0.64 HRH3 (0.59)

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
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed