SCHEMBL6973085

SCHEMBL6973085

O=C1NCCCCC1Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.41
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 1/20 0.36
SRC P12931 1/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
DNMT1 P26358 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PSMD14 O00487 1/20 0.35
MMP2 P08253 1/20 0.35
APEX1 P27695 1/20 0.35
PTPN7 P35236 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
SCHEMBL5757749 0.95 GAA (0.41) USP2GAATSHRALKBH5MAPT
SCHEMBL6975487 0.82 USP2 (0.41) USP2GAATSHRALKBH5MAPT
SCHEMBL5593779 0.77 USP2 (0.44) USP2GAATSHRMAPTALDH1A1
SCHEMBL2729166 0.75 DDB1 (0.55) ALDH1A1POLB
SCHEMBL31674354 0.74 ALDH1A1 (0.44) USP2GAATSHRALKBH5MAPT
SCHEMBL6968878 0.73 HSD17B10 (0.48) MAPTHPGDMEN1KMT2APOLB
SCHEMBL5755963 0.70 DDB1 (0.57) POLB
SCHEMBL5755256 0.70 PSEN1 (0.46) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL31300159 0.70 PSEN1 (0.51)
SCHEMBL18289450 0.69 HTT (0.41) ALDH1A1HTTL3MBTL1

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