SCHEMBL18975210

SCHEMBL18975210

CCN1CCN(CI)CCN(CC=O)CCN(CC=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL21321887 0.89 SMN1; SMN2 (0.35) HSD11B1SMN1; SMN2CHRNA7
SCHEMBL26744681 0.89 SMN1; SMN2 (0.35) HSD11B1SMN1; SMN2CHRNA7
SCHEMBL26744647 0.89 SMN1; SMN2 (0.35) HSD11B1SMN1; SMN2CHRNA7
SCHEMBL2560152 0.89 SMN1; SMN2 (0.35) HSD11B1SMN1; SMN2CHRNA7
SCHEMBL29300025 0.89 SMN1; SMN2 (0.35) HSD11B1SMN1; SMN2CHRNA7
SCHEMBL15245254 0.82 CHRNA7 (0.39) HSD11B1SMN1; SMN2CHRNA7
SCHEMBL27020232 0.81 PAOX (0.33) HSD11B1SMN1; SMN2CHRNA7
SCHEMBL28374092 0.76
SCHEMBL13563118 0.75 MEN1 (0.40) HSD11B1SMN1; SMN2
SCHEMBL16356924 0.75 HSD17B10 (0.41) HSD11B1SMN1; SMN2

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-2017098038-A1 CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2017-06-15 WO disclosed