Sugi Predict

Sugi Predict / Compounds / SCHEMBL8666996

SCHEMBL8666996

SCHEMBL8666996

COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 17/20 1.00
▸ ADRA1A P35348 17/20 1.00
▸ ADRA1B P35368 17/20 1.00
▸ DRD2 P14416 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD5 P21918 1/20 0.47
▸ DRD3 P35462 1/20 0.47

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
SCHEMBL8667587 0.94 ADRA1D (0.88) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL8666993 0.93 ADRA1D (0.87) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667732 0.88 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL8674154 0.87 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL8667585 0.87 ADRA1D (0.76) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8666853 0.85 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2HTR2A
SCHEMBL8670191 0.85 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL8672562 0.82 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL8814007 0.81 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667731 0.81 ADRA1D (0.83) ADRA1DADRA1AADRA1BDRD2HTR1A

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-5760054-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1998-06-02 — — US disclosed