SCHEMBL28802450

SCHEMBL28802450

O=C(NCCC1CCN(c2ccncc2)CC1)c1ccc2c(c1)C(NC(=O)c1ccccc1C(F)(F)F)CC2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.48
F10 P00742 1/20 0.42
SCD O00767 2/20 0.42
CHRM4 P08173 1/20 0.40
WDR5 P61964 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL784302 0.92 BDKRB1 (0.43) BDKRB1F10WDR5
SCHEMBL785686 0.89 BDKRB1 (0.59) BDKRB1F10
SCHEMBL783741 0.89 BDKRB1 (0.59) BDKRB1F10
SCHEMBL784471 0.88 BDKRB1 (0.48) BDKRB1F10
SCHEMBL784388 0.86 BDKRB1 (0.52) BDKRB1F10
SCHEMBL785561 0.84 BDKRB1 (0.42) BDKRB1F10CHRM4
SCHEMBL784146 0.84 BDKRB1 (0.51) BDKRB1F10SCD
SCHEMBL784683 0.84 BDKRB1 (0.43) BDKRB1F10CHRM4
SCHEMBL28805794 0.84 BDKRB1 (0.42) BDKRB1F10SCDCHRM4
SCHEMBL785552 0.84 WDR5 (0.40) WDR5

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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed