SCHEMBL8728997

SCHEMBL8728997

CCCCNC1C(CC)=Cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A3 Q01959 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 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
SCHEMBL8730920 0.74 BCHE (0.30) BCHEACHE
SCHEMBL22184064 0.73 ACHE (1.00) BCHEACHEKMT2AMEN1MAPT
SCHEMBL797923 0.71 BCHE (0.34) BCHEACHE
SCHEMBL7633118 0.69 BCHE (0.32) BCHEACHECYP3A4CYP2D6TSHR
SCHEMBL6344924 0.69 DRD2 (0.38) KDM4ECYP3A4CYP2D6LMNAHTR2C
SCHEMBL27372929 0.69 CYP11B1 (0.33) KDM4ECYP3A4CYP2D6LMNAHTR2C
SCHEMBL5859366 0.69 CYP11B1 (0.33) KDM4ECYP3A4CYP2D6LMNAHTR2C
SCHEMBL3259666 0.68 BCHE (0.89) BCHEACHEKMT2AMEN1HTR2C
SCHEMBL796720 0.68 BCHE (0.31) BCHEACHE
SCHEMBL1453657 0.67 HTR2A (0.40) KMT2AMEN1KDM4ECYP3A4CYP2D6

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-0839833-A2 Catalyst systems for the polymerization and copolymerization of alpha-olefins REPSOL QUIMICA S.A. (ES) 1998-05-06 EP disclosed