SCHEMBL8674154

SCHEMBL8674154

Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 1.00
ADRA1A P35348 17/20 1.00
ADRA1B P35368 17/20 1.00
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL8672562 0.93 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL8674153 0.90 ADRA1D (0.82) ADRA1DADRA1AADRA1B
SCHEMBL8670877 0.90 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL8666853 0.90 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL8670191 0.90 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2
SCHEMBL8666192 0.89 ADRA1D (0.81) ADRA1DADRA1AADRA1B
SCHEMBL8667732 0.89 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL8672489 0.88 ADRA1D (0.83) ADRA1DADRA1AADRA1B
SCHEMBL8670651 0.88 ADRA1D (0.83) ADRA1DADRA1AADRA1BDRD2
SCHEMBL8060391 0.88 ADRA1D (0.78) ADRA1DADRA1AADRA1B

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