SCHEMBL6972853

SCHEMBL6972853

COC1NCCCCC1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
LTA4H P09960 2/20 0.42
GBA1 P04062 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
SCHEMBL11470451 0.80 POLB (0.60) POLBLTA4HGBA1
SCHEMBL27892178 0.78 POLB (0.62) POLBLTA4HGBA1
SCHEMBL6980965 0.76 POLB (0.60) POLBLTA4HGBA1
SCHEMBL23459335 0.76 POLB (0.55) POLBLTA4H
SCHEMBL23459334 0.76 POLB (0.55) POLBLTA4H
SCHEMBL25698181 0.74 ALDH1A1 (0.46) POLB
SCHEMBL7389183 0.74 POLB (0.57) POLBLTA4HGBA1
SCHEMBL7389177 0.74 POLB (0.57) POLBLTA4HGBA1
SCHEMBL7389180 0.74 POLB (0.57) POLBLTA4HGBA1
SCHEMBL11285029 0.74 POLB (0.57) POLBGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed