SCHEMBL6975449

SCHEMBL6975449

O=C1CCCCC(Cc2ccco2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.41
TSHR P16473 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
CTSD P07339 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
APEX1 P27695 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PSMD14 O00487 1/20 0.38
MMP2 P08253 1/20 0.38
DNMT1 P26358 1/20 0.38
PTPN7 P35236 1/20 0.38
HBB P68871 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ALDH1A1 P00352 6/20 0.37

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
SCHEMBL6969918 0.82 USP2 (0.41) USP2TSHRMEN1KMT2AMAPT
SCHEMBL23459341 0.75 CTSD (0.58) CTSDPOLB
SCHEMBL6970123 0.75 CTSD (0.58) CTSDPOLB
SCHEMBL5593779 0.74 USP2 (0.44) USP2TSHRMEN1KMT2AMAPT
SCHEMBL6975738 0.73 HSD17B10 (0.48) CTSDMEN1KMT2AMAPTPOLB
SCHEMBL6976712 0.73 USP2 (0.43) USP2TSHRMEN1KMT2AMAPT
SCHEMBL6980292 0.72 GLA (0.41) CTSDKMT2APOLBHTTGAA
SCHEMBL6968883 0.71 IL4I1 (0.47) CTSDMEN1KMT2AMAPTL3MBTL1
SCHEMBL6974107 0.71 KCNA5 (0.47) CTSDPOLBALDH1A1GAA
SCHEMBL11470429 0.71 CTSD (0.45) CTSDPOLBTP53

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