SCHEMBL4451473

SCHEMBL4451473

O=C(ON1CCCC1)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 3/20 0.49
KMT2A Q03164 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
GCGR P47871 2/20 0.46
DRD3 P35462 1/20 0.45
MMP3 P08254 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.44
CDC25B P30305 1/20 0.44
PLK1 P53350 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL10714629 0.98 POLB (0.56) POLBLMNAGAAKMT2ANR4A1
SCHEMBL4035954 0.86 HTR6 (0.46) POLBLMNAGAAKMT2ANR4A1
SCHEMBL5875070 0.83 NPC1 (0.44) POLBLMNAKMT2AALDH1A1HTT
SCHEMBL27604472 0.78 POLB (0.45) POLBLMNAGAAKMT2ANR4A1
SCHEMBL5874810 0.77 NPC1 (0.55) POLBLMNAGAAKMT2AALDH1A1
SCHEMBL1665838 0.77 TSHR (0.43) LMNAKMT2AALDH1A1HTTHPGD
SCHEMBL9391593 0.76 KMT2A (0.48) POLBLMNAGAAKMT2ANR4A1
SCHEMBL27981018 0.75 HTT (0.50) LMNAGAAALDH1A1HTT
SCHEMBL137605 0.75 NR4A1 (0.63) POLBLMNAGAAKMT2ANR4A1
SCHEMBL5987790 0.75 NR4A1 (0.63) POLBGAAKMT2ANR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed