SCHEMBL6971983

SCHEMBL6971983

O=C1CCCCC(CCCOCc2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EPHX2 P34913 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
SCHEMBL6980494 0.84 LTA4H (0.38) LTA4HTDP1L3MBTL1HRH4HRH3
SCHEMBL21565332 0.83 CTSD (0.40) CTSDLMNACYP2C19HRH4HRH3
SCHEMBL6979908 0.83 CTSD (0.43) CTSDEPHX2
SCHEMBL6978291 0.82 CTSD (0.45) CTSDEPHX2
SCHEMBL6977367 0.79 CTSD (0.41) CTSD
SCHEMBL8806149 0.78 POLB (0.58) LTA4H
SCHEMBL23459341 0.77 CTSD (0.58) CTSD
SCHEMBL6970123 0.77 CTSD (0.58) CTSD
SCHEMBL6980555 0.77 TSHR (0.43) HRH4HRH3
SCHEMBL6979320 0.77 KDM4E (0.51) LMNALTA4HCYP2C19TDP1L3MBTL1

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