SCHEMBL8993284

SCHEMBL8993284

OCCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.52
TDO2 P48775 2/20 0.50
HRH1 P35367 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
JAK2 O60674 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 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
SCHEMBL2315778 0.93 HTR2A (0.50) HTR2ATDO2HRH1CA1CA2
SCHEMBL4556626 0.91 HTR2A (0.48) HTR2ATDO2HRH1CA1CA2
SCHEMBL30413587 0.88 TDO2 (0.61) HTR2ATDO2HRH1CA1CA2
SCHEMBL2231461 0.88 TDO2 (0.61) HTR2ATDO2HRH1CA1CA2
SCHEMBL7574105 0.85 HTR2A (0.61) HTR2ATDO2HRH1CA1CA2
SCHEMBL17022715 0.85 HTR2A (0.61) HTR2ATDO2HRH1CA1CA2
SCHEMBL5353138 0.83 HTR2A (0.64) HTR2ATDO2HRH1CA1CA2
SCHEMBL3874745 0.81 HTR2A (0.61) HTR2ATDO2HRH1JAK2CHRM2
SCHEMBL8201075 0.79 HTR2A (0.55) HTR2AHRH1CHRM1ADRA1ADRD3
SCHEMBL6402895 0.79 MAOA (0.50) LMNACYP2D6MEN1KMT2ASMN1; SMN2

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
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed