SCHEMBL13458249

SCHEMBL13458249

C=C(C)OC(=O)Nc1ccccc1NC(=O)/C=C/c1ccc(C(CCC2CCCN2C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 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
SCHEMBL3226417 0.89 CHRM3 (0.45) CHRM3
SCHEMBL1968700 0.89 CHRM3 (0.45) CHRM3
SCHEMBL1966327 0.82 CHRM3 (0.44) CHRM3
SCHEMBL3230462 0.82 CHRM3 (0.44) CHRM3
SCHEMBL1969342 0.74 HDAC1 (0.47)
SCHEMBL1969345 0.74 HDAC1 (0.47)
SCHEMBL3226412 0.73 BCL9 (0.39) CHRM3
SCHEMBL3229853 0.73 HDAC1 (0.44) CHRM3
SCHEMBL3229872 0.73 HDAC1 (0.44) CHRM3
Iferanserin SCHEMBL658304 0.70 DRD1 (0.62) CHRM3

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
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed