SCHEMBL5497775

SCHEMBL5497775

BrC1c2ccccc2-c2cccc(I)c21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
HTR2A P28223 1/20 0.33
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 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
SCHEMBL784718 0.78 MAPK1 (0.37) GPR3HTR2ACYP1A2MAPK1
SCHEMBL7930927 0.78 GPR3 (0.34) GPR3HTR2A
SCHEMBL27838869 0.76 PPIA (0.42) GPR3HTR2A
SCHEMBL8982035 0.76 CHRNB2 (0.45) GPR3HTR2AMAPK1
SCHEMBL18456445 0.76 KDM4E (0.39) GPR3HTR2A
SCHEMBL18243404 0.76 PPIA (0.33) GPR3HTR2ACYP1A2MAPK1
SCHEMBL30230992 0.75 GPR3 (0.46) GPR3HTR2ACYP1A2
SCHEMBL708297 0.75 GPR3 (0.46) GPR3HTR2ACYP1A2
Bromide SCHEMBL29090090 0.73 GPR3 (0.44) GPR3HTR2ACYP1A2MAPK1
SCHEMBL18456626 0.72 GPR3 (0.62) GPR3HTR2A

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
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed