SCHEMBL9824587

SCHEMBL9824587

COc1ccc(C#Cc2ccccc2)c(CC(C)NCCc2c(Cl)cccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
ACACB O00763 5/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CASR P41180 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 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
SCHEMBL9824331 0.85 SLC2A1 (0.53) SLC2A1ACACBMTNR1AMTNR1BSIGMAR1
Hydrochloric Acid SCHEMBL30357966 0.84 SLC2A1 (0.52) SLC2A1ACACBMTNR1AMTNR1BSIGMAR1
SCHEMBL9824451 0.81 SLC2A1 (0.52) SLC2A1ACACBMTNR1AMTNR1BSIGMAR1
SCHEMBL10411870 0.81 MTNR1A (0.45) SLC2A1ACACBMTNR1AMTNR1BSIGMAR1
SCHEMBL9825118 0.80 SLC2A1 (0.43) SLC2A1MTNR1AMTNR1BCASRSIGMAR1
SCHEMBL9825013 0.78 CYP1A1 (0.44) SLC2A1CASRSIGMAR1HTR1AADRA2B
SCHEMBL9824303 0.78 CYP1A1 (0.44) SLC2A1CASRSIGMAR1HTR1AADRA2B
SCHEMBL9824993 0.78 CYP1A1 (0.44) SLC2A1CASRSIGMAR1HTR1AADRA2B
Fumaric Acid SCHEMBL10690449 0.74 SLC2A1 (0.40) SLC2A1MTNR1AMTNR1BCASRSIGMAR1
SCHEMBL10412812 0.74 HTR2A (0.55) HTR1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250254-B1 CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION McNeilab, Inc. (US) 1991-06-19 EP disclosed
EP-0250254-A1 Cis & trans stilbenes and their composition for the treatment of hypertension McNeilab, Inc. (US) 1987-12-23 EP disclosed