SCHEMBL5532790

SCHEMBL5532790

C=CCN1C=Cc2ccccc2C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.44
BRD4 O60885 1/20 0.41
CCL2 P13500 1/20 0.41
OPRM1 P35372 1/20 0.38
HTR2A P28223 2/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 2/20 0.32
OPRD1 P41143 1/20 0.32
CASP3 P42574 1/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 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
SCHEMBL2874068 0.81 HTR2A (0.37) PRCPBRD4CCL2OPRM1HTR2A
SCHEMBL4277466 0.78 PRCP (0.34) PRCPBRD4CCL2OPRM1HTR2A
Bromide SCHEMBL10686124 0.78 BRD4 (0.44) BRD4CCL2HTR2AKDM4ELMNA
SCHEMBL10688105 0.77 BRD4 (0.46) BRD4CCL2HTR2AKDM4EHTR1A
SCHEMBL23356558 0.75 BRD4 (0.33) PRCPBRD4CCL2CASP3CYP3A4
SCHEMBL29657149 0.75 BRD4 (0.34) PRCPBRD4CCL2CYP3A4ALDH1A1
SCHEMBL10694747 0.71 BRD4 (0.55) BRD4CCL2HTR2AKDM4ELMNA
SCHEMBL8533808 0.68 BRD4 (0.47) BRD4CCL2HTR2AKDM4ELMNA
SCHEMBL28374476 0.66 BRD4 (0.41) BRD4CCL2HTR2AKDM4EHTR1A
SCHEMBL28570346 0.64 BRD4 (0.40) BRD4CCL2HTR2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1739487-A1 BILAYER LAMINATED FILM FOR BUMP FORMATION AND METHOD OF BUMP FORMATION JSR Corporation (JP) 2007-01-03 EP disclosed