SCHEMBL5314080

SCHEMBL5314080

O=C(O)c1ccc(N2CCCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)nn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.55
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
DCTPP1 Q9H773 2/20 0.44

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
SCHEMBL936628 0.92 SCD (0.65) SCDDCTPP1
SCHEMBL938209 0.88 SCD (0.69) SCDDCTPP1
SCHEMBL5309183 0.87 SCD (0.57) SCDHCRTR1HCRTR2DCTPP1
SCHEMBL5309233 0.87 SCD (0.60) SCDDCTPP1
SCHEMBL5309844 0.83 SCD (0.49) SCDDCTPP1
SCHEMBL5308957 0.80 SCD (0.55) SCDDCTPP1
SCHEMBL5309076 0.80 SCD (0.43) SCDDCTPP1
SCHEMBL937130 0.79 SCD (0.69) SCDDCTPP1
SCHEMBL5306113 0.79 SCD (0.46) SCDHCRTR1HCRTR2DCTPP1
SCHEMBL5314081 0.79 SCD (0.48) SCDHCRTR1HCRTR2DCTPP1

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-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed