SCHEMBL2653744

SCHEMBL2653744

c1cc(-c2ncc[nH]2)c2occc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NISCH Q9Y2I1 2/20 0.44
▸ MTOR P42345 1/20 0.44
▸ ADK P55263 1/20 0.44
▸ ADRA2A P08913 5/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ IDO1 P14902 1/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ADRA2B P18089 4/20 0.36
▸ ADRA2C P18825 4/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ ADRA1D P25100 1/20 0.33
▸ CASP6 P55212 1/20 0.32

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
SCHEMBL26259985 0.75 CSNK1A1 (0.49) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL2652493 0.74 MEN1 (0.47) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL2653742 0.73 EED (0.30) —
SCHEMBL26259965 0.73 NISCH (0.54) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL51007 0.73 ADRA2A (0.54) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL9287236 0.72 NISCH (0.64) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL2653390 0.71 TSHR (0.52) MEN1ALDH1A1KMT2ANISCHMTOR
Hydrochloric Acid SCHEMBL28957351 0.71 ADRA2A (0.56) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL28382846 0.71 CSNK1A1 (0.56) MEN1ALDH1A1KMT2ANISCHMTOR
SCHEMBL955967 0.71 ADRA2A (0.58) MEN1ALDH1A1KMT2AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262499-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST University Health Network (CA) 2010-12-22 — — EP disclosed
WO-2009111868-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST UNIVERSITY HEALTH NETWORK (CA) 2009-09-17 — — WO disclosed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 — — EP disclosed
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 — — EP disclosed
EP-1799241-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2007-06-27 — — EP disclosed
WO-2006036770-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2006-04-06 — — WO disclosed
EP-1635832-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2006-03-22 — — EP disclosed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 — — EP disclosed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 — — EP disclosed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 — — EP disclosed
WO-2005000217-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO., INC. (US) 2005-01-06 — — WO disclosed
WO-2004110375-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-12-23 — — WO disclosed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 — — WO disclosed
WO-2004009015-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2004-01-29 — — WO disclosed
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