SCHEMBL405100

SCHEMBL405100

[c]1c[nH]c(Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
CALM1 P0DP23 1/20 0.42
GAA P10253 2/20 0.42
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 0.41
DAO P14920 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HPGDS O60760 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL7623946 0.82 PDE10A (0.46) TAAR1DAOHRH3NPC1RAB9A
SCHEMBL7616832 0.81 MAPT (0.39) TAAR1NR1H2DAONPC1RAB9A
SCHEMBL7626665 0.81 TAAR1 (0.37) TAAR1GAADAOPKMLMNA
SCHEMBL7621159 0.80 DAO (0.42) TAAR1DAOLMNA
SCHEMBL7620401 0.79 TAAR1 (0.44) TAAR1DAO
SCHEMBL7621725 0.77 LTA4H (0.46) POLBLMNACYP2D6
SCHEMBL14570954 0.69 TAAR1 (0.50) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL7615355 0.69 CALM1 (0.37) CALM1DAOKMT2ATSHRMEN1
SCHEMBL795316 0.68 NR1H2 (0.44) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL7385670 0.67 GAA (0.44) TAAR1CALM1GAANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361627-B2 Anti-corrosion layer for aluminum and magnesium alloys EADS DEUTSCHLAND GMBH (DE) 2013-01-29 US disclosed
US-20120021232-A1 ANTI-CORROSION LAYER FOR ALUMINUM AND MAGNESIUM ALLOYS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-01-26 US disclosed
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP disclosed
EP-1446113-A4 COMPOUNDS AND METHODS FOR TREATING TRANSPLANT REJECTION ATHEROGENICS INC (US) 2006-12-06 EP disclosed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
EP-1446113-A2 COMPOUNDS AND METHODS FOR TREATING TRANSPLANT REJECTION Atherogenics, Inc. (US) 2004-08-18 EP disclosed
WO-2004024094-A2 METHODS AND COMPOSITONS FOR THE USE OF D-MALIC ACID TO DECREASE SERUM TRIGLYCERIDE, CHOLESTEROL, AND LIPOPROTEIN LEVELS SAMFORD UNIVERSITY (US) 2004-03-25 WO disclosed
WO-2003039231-A2 COMPOUNDS AND METHODS FOR TREATING TRANSPLANT REJECTION ATHEROGENICS, INC. (US) 2003-05-15 WO disclosed
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 WO disclosed