SCHEMBL5306200

SCHEMBL5306200

O=C(NCc1ccc(F)cc1)c1ccc(N2CCCN(C(=O)c3ccccc3F)C2=O)nn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 9/20 0.50
SCD O00767 2/20 0.46
PRKAA2 P54646 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL5309091 0.90 SCD (0.60) DCTPP1SCD
SCHEMBL5311547 0.85 LMNA (0.46) PRKAA2ALDH1A1LMNA
SCHEMBL5370515 0.84 DCTPP1 (0.46) DCTPP1SCDCYP1A2CYP2C19KMT2A
SCHEMBL5306130 0.84 DCTPP1 (0.49) DCTPP1SCDPRKAA2KMT2A
SCHEMBL5309746 0.83 SCD (0.68) DCTPP1SCD
SCHEMBL5358417 0.83 SCD (0.60) DCTPP1SCD
SCHEMBL5312775 0.82 SCD (0.59) DCTPP1SCD
SCHEMBL5493321 0.82 DCTPP1 (0.44) DCTPP1SCDALDH1A1KMT2A
SCHEMBL5309412 0.81 SCD (0.55) DCTPP1SCD
SCHEMBL5309658 0.80 DCTPP1 (0.41) DCTPP1SCDALDH1A1

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