SCHEMBL1380847

SCHEMBL1380847

NC(=O)C1NCCN(C(N)=O)C1C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 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
SCHEMBL1379285 0.79 KMT2A (0.42) TDP1KMT2A
SCHEMBL27980649 0.72 OPRD1 (0.44) OPRD1KMT2A
SCHEMBL1381034 0.69 KCNH2 (0.46)
SCHEMBL5585868 0.69 POLB (0.41) KMT2A
SCHEMBL6189155 0.69 MEN1 (0.50) KMT2A
SCHEMBL16598721 0.66 DPP4 (0.42) OPRD1KMT2A
SCHEMBL7860425 0.66 TACR1 (0.50) KMT2A
SCHEMBL6185432 0.64 POLB (0.37) KMT2A
SCHEMBL4575056 0.64 KMT2A (0.42) TDP1KMT2A
SCHEMBL1819575 0.63 SLC1A2 (0.43) OPRD1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 2011-11-30 JP claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed