SCHEMBL20207866

SCHEMBL20207866

C[C@@H](NSCCCCN1C(=O)c2ccccc2C1=O)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DUT P33316 13/20 0.47
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL29387060 0.83 DUT (0.68) DUT
SCHEMBL20188506 0.83 DUT (0.68) DUT
SCHEMBL18374071 0.83 DUT (0.68) DUT
SCHEMBL20338535 0.83 DUT (0.69) DUT
SCHEMBL20191015 0.83 DUT (0.69) DUT
SCHEMBL20191013 0.83 DUT (0.69) DUT
SCHEMBL20338536 0.83 DUT (0.69) DUT
SCHEMBL24775323 0.81 DUT (0.65) DUT
SCHEMBL24153928 0.81 DUT (0.65) DUT
SCHEMBL20207740 0.81 DUT (0.47) DUTALDH1A1MAPTSMN1; SMN2NPSR1

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-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed