SCHEMBL2651687

SCHEMBL2651687

N#Cc1cccc(-c2n[c]c[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
CLK4 Q9HAZ1 1/20 0.47
MAOB P27338 2/20 0.45
PIN1 Q13526 1/20 0.44
XDH P47989 1/20 0.43
NOTUM Q6P988 1/20 0.42
GRM5 P41594 1/20 0.41
TYMP P19971 1/20 0.40
GRK6 P43250 1/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA1 P14867 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL2651838 0.80 RHEB (0.40) IDO1NOTUMTYMP
SCHEMBL30825580 0.75 IDO1 (0.54) IDO1CLK4MAOBPIN1XDH
SCHEMBL2091213 0.75 IDO1 (0.45) IDO1PIN1XDHNOTUM
SCHEMBL4041568 0.75 HSD17B1 (0.47)
SCHEMBL403894 0.73 MTOR (0.43) IDO1
SCHEMBL1201571 0.72 IDO1 (0.50) IDO1CLK4MAOBXDHNOTUM
SCHEMBL2052675 0.72 CLK4 (0.57) IDO1CLK4MAOBPIN1XDH
SCHEMBL2154026 0.72 CLK4 (0.65) IDO1CLK4MAOBXDHNOTUM
SCHEMBL2095585 0.71 KIF11 (0.47) IDO1PIN1CTSSCTSK
SCHEMBL4015570 0.71 SCN2A (0.55) IDO1PIN1XDHNOTUMCTSS

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 16 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
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO disclosed