SCHEMBL5306153

SCHEMBL5306153

Nc1ccccc1C(=O)N1CCCN(c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)nn2)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 8/20 0.49
SCD O00767 8/20 0.49
RAB9A P51151 1/20 0.39

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
SCHEMBL5306446 0.88 SCD (0.66) DCTPP1SCD
SCHEMBL5315049 0.86 SMN1; SMN2 (0.47) SCDRAB9A
SCHEMBL5309658 0.84 DCTPP1 (0.41) DCTPP1SCDRAB9A
SCHEMBL5309321 0.82 DCTPP1 (0.54) DCTPP1SCD
SCHEMBL5309412 0.79 SCD (0.55) DCTPP1SCD
SCHEMBL5309139 0.79 SCD (0.70) DCTPP1SCD
SCHEMBL5367323 0.79 DCTPP1 (0.59) DCTPP1SCD
SCHEMBL5312647 0.77 SCD (0.80) DCTPP1SCD
SCHEMBL5310827 0.76 SCD (0.70) DCTPP1SCD
SCHEMBL5310675 0.75 SCD (0.56) DCTPP1SCDRAB9A

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