SCHEMBL5778033

SCHEMBL5778033

CCC(CN)c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TAAR1 Q96RJ0 3/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
CASR P41180 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHEK1 O14757 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42

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
SCHEMBL11081355 0.91 AOC3 (0.54) AOC3L3MBTL1TAAR1MTNR1AMTNR1B
SCHEMBL13814395 0.89 AOC3 (0.51) AOC3L3MBTL1TAAR1MTNR1AMTNR1B
SCHEMBL7411654 0.87 AOC3 (0.48) AOC3L3MBTL1TAAR1MTNR1AMTNR1B
SCHEMBL7376528 0.83 AOC3 (0.48) AOC3L3MBTL1TAAR1MTNR1AMTNR1B
SCHEMBL11080697 0.82 AOC3 (0.54) AOC3L3MBTL1TAAR1MTNR1AMTNR1B
SCHEMBL5311110 0.81 MTNR1A (0.62) AOC3TAAR1MTNR1AMTNR1BCASR
SCHEMBL4989684 0.80 L3MBTL1 (0.48) AOC3L3MBTL1MTNR1AMTNR1BCHEK1
SCHEMBL18937394 0.80 AOC3 (0.44) AOC3L3MBTL1MTNR1AMTNR1BCASR
Ammonia Solution, Strong SCHEMBL28860272 0.80 SLC6A2 (0.47) AOC3L3MBTL1TAAR1MTNR1AMTNR1B
SCHEMBL28978068 0.80 AOC3 (0.51) AOC3L3MBTL1MTNR1AMTNR1BCASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed
EP-1121353-A1 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-08-08 EP disclosed
WO-2000021947-A1 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-04-20 WO disclosed