SCHEMBL6007656

SCHEMBL6007656

N#CCCN(CCc1ccccc1)CC(Br)CBr

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA4 P22748 5/20 0.41
OPRK1 P41145 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AOC3 Q16853 1/20 0.36
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6007954 0.78 CA12 (0.46) CA12CA1CA2CA4OPRK1
SCHEMBL6007658 0.71 TRPA1 (0.34) AOC3DRD3TDP1
SCHEMBL10962715 0.71 POLB (0.47) POLBGAA
SCHEMBL151627 0.70 ALDH1A1 (0.52) MEN1KMT2ADRD3POLBGAA
SCHEMBL716384 0.70 ALDH1A1 (0.52) CA12CA1CA2OPRK1MEN1
SCHEMBL10882625 0.70 CA12 (0.57) CA12CA1CA2CA4OPRK1
SCHEMBL13359819 0.69 SIGMAR1 (0.58) MEN1KMT2AAOC3TAAR1
SCHEMBL27463102 0.69 OPRK1 (0.49) CA12CA1CA2OPRK1OPRM1
SCHEMBL8055910 0.68 MEN1 (0.47) CA12CA1CA2MEN1KMT2A
SCHEMBL181369 0.67 MEN1 (0.52) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924213-B1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-06-28 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-6191129-B1 MICROBIOCIDES, BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
EP-0924213-A1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-23 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed