SCHEMBL11220571

SCHEMBL11220571

CC(C)N1CC(COc2cccc3[nH]ccc23)OC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.45
HTR1B P28222 2/20 0.45
ADRB2 P07550 4/20 0.44
ADRB1 P08588 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
ADRB3 P13945 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL11215201 0.90 HTR1B (0.44) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL11071694 0.90 PARP1 (0.44) CYP1A2CYP3A4LMNAKDM4ECYP2C9
SCHEMBL9225971 0.82 PDK1 (0.46) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL9225959 0.82 PDK1 (0.46) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL11875374 0.78 HTR2B (0.47) DRD4MAPK1
SCHEMBL11304628 0.77 HTR2B (0.51) MAPK1OPRK1SLC6A3
SCHEMBL11060976 0.77 GRM2 (0.43) MAPK1
SCHEMBL11067676 0.77 GRM2 (0.39) MAPK1
SCHEMBL11068306 0.77 ADRB2 (0.44) ADRB2ADRB1ADRB3NR3C1
SCHEMBL11069100 0.76 HTR2B (0.42) KDM4ETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57134463-A None JP disclosed
JP-57169480-A None JP disclosed
JP-56059772-A None JP disclosed
JP-56053676-A None JP disclosed
JP-56079689-A None JP disclosed
JP-S57169480-A PRODUCTION OF INDOLE DERIVATIVE PAAMAKEMU ASIA:KK 1982-10-19 JP disclosed
JP-S57134463-A PREPARATION OF INDOLE DERIVATIVE PAAMAKEMU ASIA:KK 1982-08-19 JP disclosed
JP-S5679689-A NOVEL OXAZOLIDINONE DERIVATIVE AND ITS PREPARATION PAAMAKEMU ASIA:KK 1981-06-30 JP disclosed
JP-S5659772-A PREPARATION OF NOVEL 2-OXAZOLIDINONE DERIVATIVE FUJIMOTO SEIYAKU KK 1981-05-23 JP disclosed
JP-S5653676-A NOVEL 2-OXAZOLIDINONE DERIVATIVE HAVING PHARMACEUTICAL ACTIVITY, AND ITS PREPARATION FUJIMOTO SEIYAKU KK 1981-05-13 JP disclosed