SCHEMBL13767828

SCHEMBL13767828

CC(C=O)c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.61
FFAR1 O14842 2/20 0.61
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
CYP2A6 P11509 1/20 0.50
IMPDH2 P12268 1/20 0.50
ATM Q13315 1/20 0.46
SRC P12931 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL29951612 1.00 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6158689 0.82 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL11805598 0.81 GPR84 (0.55) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6668005 0.81 GPR84 (0.59) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL27640048 0.80 GPR84 (0.54) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5513681 0.79 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
Vibrindole A SCHEMBL5960513 0.79 GPR84 (0.71) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL255420 0.79 GPR84 (0.71) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL30626309 0.79 GPR84 (0.71) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL7316265 0.79 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B

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
US-9333272-B2 Fibrin binding peptide conjugates for diagnostic and therapeutic applications BRACCO IMAGING SPA (IT) 2016-05-10 US disclosed
US-7560473-B2 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. (CN) 2009-07-14 US disclosed
CN-101111490-A 4- (1H-indol-3-yl) -pyrimidin-2-ylamine derivatives and their therapeutic use CYCLACEL LTD (GB) 2008-01-23 CN disclosed
CN-1814596-A Muscarinic agonists ARCADIA PHARMACEUTICALS INC (US) 2006-08-09 CN disclosed
CN-1249051-C Muscarinic agonists ACADIA PHARM INC (US) 2006-04-05 CN disclosed
CN-1439002-A Muscarinic agonists ACADIA PHARM INC (US) 2003-08-27 CN disclosed