SCHEMBL5309658

SCHEMBL5309658

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 10/20 0.41
SCD O00767 2/20 0.41
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL5312812 0.89 SCD (0.56) DCTPP1SCD
SCHEMBL5307475 0.86 CA2 (0.41) RAB9ASMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL5306153 0.84 DCTPP1 (0.49) DCTPP1SCDRAB9A
SCHEMBL5370515 0.82 DCTPP1 (0.46) DCTPP1SCD
SCHEMBL5306200 0.80 DCTPP1 (0.50) DCTPP1SCDALDH1A1
SCHEMBL5306130 0.80 DCTPP1 (0.49) DCTPP1SCD
SCHEMBL5358417 0.79 SCD (0.60) DCTPP1SCD
SCHEMBL5309091 0.78 SCD (0.60) DCTPP1SCD
SCHEMBL5312323 0.76 SCD (0.48) DCTPP1SCDRAB9ASMN1; SMN2KDM4E
SCHEMBL5309214 0.75 SCD (0.49) SCDSMN1; SMN2KDM4EALDH1A1HPGD

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