SCHEMBL4459017

SCHEMBL4459017

B1CCc2ccccc21.c1ccc2c(c1)CCC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
CYP2A6 P11509 2/20 0.38
HTR2C P28335 1/20 0.34
MAPT P10636 1/20 0.34
DRD4 P21917 2/20 0.33
SLC18A3 Q16572 1/20 0.33
RIPK1 Q13546 1/20 0.32
PNMT P11086 1/20 0.31
CD44 P16070 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL13615622 0.86 TSHR (0.48) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL30165716 0.83 TSHR (0.50) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL9662 0.75
SCHEMBL3057782 0.75 TSHR (0.86) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL451157 0.75 TSHR (0.86) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL29354295 0.75
Ammonia Solution, Strong SCHEMBL6332955 0.72 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Fluoride SCHEMBL9776698 0.72 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Methane SCHEMBL19946467 0.72 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Water SCHEMBL7121211 0.72 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723181-A4 TELECHELIC POLYMERS CONTAINING REACTIVE FUNCTIONAL GROUPS PENN STATE RES FOUND (US) 2009-01-21 EP disclosed
US-20080058454-A1 Chain-End Functionalized Fluoropolymers for the Preparation of Fluorpolymer/Clay Nanocomposites with Exfoliated Structure NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA 2008-03-06 US disclosed
WO-2008011208-A2 CHAIN-END FUNCTIONALIZED FLUOROPOLYMERS FOR THE PREPARATION OF FLUOROPOLYMER/CLAY NANOCOMPOSITES WITH EXFOLIATED STRUCTURE THE PENN STATE RESEARCH FOUNDATION (US) 2008-01-24 WO disclosed
US-7262257-B2 Telechelic polymers containing reactive functional groups THE PENN STATE RESEARCH FOUNDATION (US) 2007-08-28 US disclosed
EP-1723181-A1 TELECHELIC POLYMERS CONTAINING REACTIVE FUNCTIONAL GROUPS THE PENN STATE RESEARCH FOUNDATION (US) 2006-11-22 EP disclosed
WO-2005085297-A1 TELECHELIC POLYMERS CONTAINING REACTIVE FUNCTIONAL GROUPS PENN STATE RESEARCH FOUNDATION (US) 2005-09-15 WO disclosed
US-20050182208-A1 Telechelic polymers containing reactive functional groups THE PENN STATE RESEARCH FOUNDATION 2005-08-18 US disclosed