SCHEMBL6980239

SCHEMBL6980239

O=C1NCCCCC1CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
MMP1 P03956 4/20 0.42
MMP9 P14780 3/20 0.42
MMP7 P09237 2/20 0.42
MMP3 P08254 1/20 0.42
HTT P42858 1/20 0.41
CCR2 P41597 7/20 0.40
IDE P14735 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL18289450 0.88 HTT (0.41) CTSDHTTCCR2
SCHEMBL6684780 0.80 MAPT (0.40) MMP1MMP9MMP7MMP3MEN1
SCHEMBL31060569 0.80 CCR2 (0.42) HTTCCR2
SCHEMBL19400069 0.78 HTT (0.49) HTTCCR2
SCHEMBL9517363 0.78 HTT (0.49) HTTCCR2
SCHEMBL6968150 0.77 MAPT (0.34) CTSDMEN1MAPTKMT2AATM
SCHEMBL1705386 0.76 HTT (0.50) HTTCCR2
SCHEMBL9821256 0.76 CCR2 (0.43) HTTCCR2
SCHEMBL11126213 0.76 HTT (0.50) HTTCCR2
SCHEMBL14301881 0.76 HTT (0.50) HTTCCR2

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 6 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-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 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