SCHEMBL23940316

SCHEMBL23940316

CCCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N(CCCCCCCCCCCC)CCN1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
GNAO1 P09471 8/20 0.38
GNAI3 P08754 7/20 0.38
GNAI1 P63096 7/20 0.38
BCHE P06276 1/20 0.34
SOD3 P08294 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
SCHEMBL23426277 1.00 SIGMAR1 (0.56) SIGMAR1HRH2HRH1CA12CA1
SCHEMBL19032657 1.00 SIGMAR1 (0.56) SIGMAR1HRH2HRH1CA12CA1
SCHEMBL19032646 0.88 CA12 (0.42) SIGMAR1CA12CA1CA2CA4
SCHEMBL29329335 0.88 CA12 (0.42) SIGMAR1CA12CA1CA2CA4
SCHEMBL20562047 0.83 CA12 (0.39) SIGMAR1HRH2HRH1CA12CA1
SCHEMBL29001307 0.82 SIGMAR1 (0.59) SIGMAR1HRH2HRH1GNAO1GNAI3
SCHEMBL19040701 0.82 SIGMAR1 (0.46) SIGMAR1CA12CA1CA2CA4
SCHEMBL19032598 0.80 GNAO1 (0.46) SIGMAR1HRH2HRH1GNAO1GNAI3
SCHEMBL19040849 0.80 GNAO1 (0.46) SIGMAR1HRH2HRH1GNAO1GNAI3
SCHEMBL4061196 0.80 CA12 (0.52) CA12CA1CA2CA4

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
EP-3896164-A1 POLYNUCLEOTIDES ENCODING ALPHA-GALACTOSIDASE A FOR THE TREATMENT OF FABRY DISEASE ModernaTX, Inc. (US) 2021-10-20 EP disclosed