SCHEMBL8163045

SCHEMBL8163045

CC1C=C(N2CCN(C)CC2)c2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.48
DRD4 P21917 6/20 0.48
ACHE P22303 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ADRA2C P18825 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
DRD3 P35462 2/20 0.39
HTR1A P08908 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL21250762 0.73 TSHR (0.43) ACHEKMT2A
SCHEMBL8244044 0.73 DRD2 (0.48) DRD2DRD4HTR2AADRA2CEGFR
SCHEMBL28170415 0.68 ACHE (0.46) DRD2ACHEHTR2AHTR2CHTR2B
SCHEMBL8157632 0.68 NOS3 (0.50) ACHEHTR2AMAPTMAPK1
SCHEMBL22566378 0.65 ACHE (0.42) DRD2ACHEHTR2AHTR2CHTR2B
SCHEMBL17987100 0.63 HTR1A (0.62) DRD2HTR2AADRA2CEGFRLMNA
SCHEMBL17249923 0.63 DNMT1 (0.64) DRD2DRD4EGFRLMNAMAPT
SCHEMBL4649553 0.62 DNMT1 (0.83) DRD2DRD4EGFRLMNAMAPT
SCHEMBL6001718 0.62 DRD2 (0.52) DRD2DRD4HTR2ADRD3HTR1A
SCHEMBL1200699 0.62 ACHE (0.56) DRD2ACHEHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021397-A4 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS INC (US) 2000-10-04 EP disclosed
EP-1021397-A1 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS INC. (US) 2000-07-26 EP disclosed
WO-1998039287-A1 BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 1998-09-11 WO disclosed