SCHEMBL8614499

SCHEMBL8614499

C=CCc1ccccc1N(C)CC=C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
C5AR1 P21730 1/20 0.37
ADRA2A P08913 5/20 0.37
ADRA2B P18089 5/20 0.37
ADRA2C P18825 5/20 0.37
HTR1A P08908 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.33

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
SCHEMBL8755334 0.82 GABRA1 (0.42) GABRA1GABRB2ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29044792 0.81 GABRA1 (0.41) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL2788522 0.81 GABRA1 (0.41) GABRA1GABRB2C5AR1ADRA2AADRA2B
SCHEMBL1468909 0.78 GABRA1 (0.39) GABRA1GABRB2C5AR1ADRA2AADRA2B
SCHEMBL25385491 0.77 PYCR1 (0.42) C5AR1ALDH1A1PTPN1
SCHEMBL28155734 0.76 GABRA1 (0.38) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL84249 0.76 GABRA1 (0.38) GABRA1GABRB2C5AR1ADRA2AADRA2B
SCHEMBL11862303 0.76 KDM4E (0.33) C5AR1ALDH1A1
SCHEMBL28356670 0.76 C5AR1 (0.38) C5AR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL2586271 0.75 GABRA1 (0.47) GABRA1GABRB2ADRA2AADRA2BADRA2C

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-0554904-B1 Organosilicon polymers, and dyes, exhibiting nonlinear optical response ALLIANT TECHSYSTEMS INC (US) 1998-06-10 EP disclosed
US-5714304-A AN ORGANOSILICON CROSSLINKED POLYMER IS THE REACTION PRODUCT OF ATLEAST ONE CYCLIC POLYSILOXANE HAVING ATLEAST TWO HYDROSILATION REACTIVE GROUPS, AN ORGANIC DYE WITH ELECTRON ACCEPTOR AND DONOR GROUPS WITH DOUBLE BOND, AND A POLYENE HERCULES INCORPORATED (US) 1998-02-03 US disclosed
US-5663308-A DYES CONTAINING ELECTRON DONOR/ACEPTOR GROUPS LINKED BY DELOCALIZED PI ELECTRON SYSTEM AND TWO OR MORE PENDANT GROUPS HERCULES INCORPORATED (US) 1997-09-02 US disclosed
US-5605726-A FILMS, SEMICONDUCTORS HERECULES INCORPORATED (US) 1997-02-25 US disclosed
US-5298588-A Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1994-03-29 US disclosed
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 US disclosed
EP-0554904-A2 Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1993-08-11 EP disclosed