SCHEMBL28025980

SCHEMBL28025980

Cc1cc(C)cc(C2C=Cc3ccccc32)c1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.38
HTR6 P50406 1/20 0.36
HTR2A P28223 2/20 0.32
SIGMAR1 Q99720 2/20 0.31
CYP3A4 P08684 2/20 0.30
LMNA P02545 2/20 0.30
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 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
SCHEMBL6285049 0.98 TACR1 (0.38) TACR1HTR6HTR2ASIGMAR1CYP3A4
SCHEMBL7603682 0.84 HDAC4 (0.39) HTR6HTR2ALMNASLC6A2HTR2C
SCHEMBL2830664 0.83 PRCP (0.39) HTR6HTR2ASIGMAR1CYP3A4LMNA
SCHEMBL2962735 0.79 HDAC4 (0.32) HTR6HTR2A
SCHEMBL9145143 0.79 HTR2A (0.38) HTR6HTR2ASIGMAR1CYP3A4LMNA
SCHEMBL27460809 0.78 HTR2A (0.40) HTR6HTR2ASIGMAR1CYP3A4LMNA
SCHEMBL1028466 0.77 HTR2A (0.39) HTR6HTR2ASIGMAR1CYP3A4LMNA
SCHEMBL2958067 0.76
Ammonia Solution, Strong SCHEMBL21245914 0.75 HTR2A (0.38) HTR6HTR2ASIGMAR1CYP3A4LMNA
Methane SCHEMBL28813011 0.75 HTR2A (0.38) HTR6HTR2ASIGMAR1CYP3A4LMNA

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
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed