SCHEMBL8670651

SCHEMBL8670651

COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4cc(C)ccc43)CC1)S2(=O)=O

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 18/20 0.83
ADRA1A P35348 18/20 0.83
ADRA1B P35368 18/20 0.83
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL8667583 0.92 ADRA1D (0.75) ADRA1DADRA1AADRA1B
SCHEMBL8670649 0.91 ADRA1D (0.69) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8670872 0.91 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL8666192 0.89 ADRA1D (0.81) ADRA1DADRA1AADRA1B
SCHEMBL8667732 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL8672489 0.88 ADRA1D (0.83) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8674154 0.88 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2
SCHEMBL8670877 0.87 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8672160 0.86 ADRA1D (0.77) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL8667733 0.86 ADRA1D (0.82) ADRA1DADRA1AADRA1BHTR2AHTR7

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 4 patents. 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
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed