SCHEMBL4986244

SCHEMBL4986244

O=C(NCC1CC1)Nc1ccc(N2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.67
DCTPP1 Q9H773 1/20 0.45

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
SCHEMBL936703 0.92 SCD (0.76) SCD
SCHEMBL936597 0.91 SCD (0.69) SCD
SCHEMBL939274 0.89 SCD (0.65) SCDDCTPP1
SCHEMBL4985903 0.83 SCD (0.49) SCDDCTPP1
SCHEMBL936658 0.81 SCD (0.75) SCDDCTPP1
SCHEMBL29438734 0.80 SCD (1.00) SCDDCTPP1
SCHEMBL936814 0.80 SCD (1.00) SCDDCTPP1
SCHEMBL1377463 0.79 SCD (0.75) SCDDCTPP1
SCHEMBL4986258 0.79 SCD (0.48) SCD
SCHEMBL1377534 0.79 SCD (0.90) SCDDCTPP1

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
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed