SCHEMBL17265447

SCHEMBL17265447

Cc1ccc2c(c1)Sc1cc(-c3ccc(C)s3)ccc1N2CCCP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.36
FDPS P14324 2/20 0.35
DRD2 P14416 1/20 0.33
PGR P06401 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL17265450 0.94 DRD2 (0.34) DRD3FDPSDRD2PGRGRIN1
SCHEMBL17265449 0.86 DRD3 (0.44) DRD3DRD2MEN1KMT2ACYP1A2
SCHEMBL17265448 0.79 DRD3 (0.38) DRD3MEN1KMT2ACYP1A2CYP2D6
SCHEMBL20215755 0.78 TP53 (0.36) DRD3DRD2MEN1KMT2ACYP1A2
SCHEMBL20215754 0.73 TP53 (0.39) DRD3DRD2MEN1KMT2ACYP1A2
SCHEMBL12905409 0.68 PIM1 (0.57) DRD3DRD2MEN1KMT2ACYP1A2
SCHEMBL13212466 0.68 DRD3 (0.49) DRD3DRD2MEN1KMT2ACYP1A2
SCHEMBL14292118 0.67 DRD3 (0.48) DRD3DRD2GRIN1GRIN2BMEN1
SCHEMBL4727919 0.67 DRD3 (0.48) DRD3DRD2GRIN1GRIN2BMEN1
SCHEMBL15237164 0.66 DRD3 (0.47) DRD3DRD2MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9990578-B2 Redox active polymer devices and methods of using and manufacturing the same ARIZON BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-05 US disclosed
US-9882215-B2 Electrochemical energy storage devices comprising self-compensating polymers ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-30 US disclosed
US-20150332141-A1 REDOX ACTIVE POLYMER DEVICES AND METHODS OF USING AND MANUFACTURING THE SAME U.S. DEPARTMENT OF ENERGY 2015-11-19 US disclosed
US-20150333331-A1 ELECTROCHEMICAL ENERGY STORAGE DEVICES COMPRISING SELF-COMPENSATING POLYMERS U.S. DEPARTMENT OF ENERGY 2015-11-19 US disclosed
US-20150333331-A1 ELECTROCHEMICAL ENERGY STORAGE DEVICES COMPRISING SELF-COMPENSATING POLYMERS U.S. DEPARTMENT OF ENERGY 2015-11-19 US disclosed