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SCHEMBL7078259

SCHEMBL7078259

COCC1=C(C(=O)O)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CCN(C3CCC(O)(c4ccccc4C(F)(F)F)CC3)C2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 20/20 0.53
▸ ADRA1A P35348 20/20 0.53
▸ ADRA1B P35368 20/20 0.53

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
SCHEMBL7078378 0.95 ADRA1D (0.58) ADRA1DADRA1AADRA1B
SCHEMBL7083966 0.88 ADRA1A (0.61) ADRA1DADRA1AADRA1B
SCHEMBL8150750 0.88 ADRA1D (0.61) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8150758 0.87 ADRA1D (0.60) ADRA1DADRA1AADRA1B
SCHEMBL7083356 0.87 ADRA1D (0.54) ADRA1DADRA1AADRA1B
SCHEMBL7075940 0.83 ADRA1A (0.68) ADRA1DADRA1AADRA1B
SCHEMBL7079788 0.83 ADRA1A (0.62) ADRA1DADRA1AADRA1B
SCHEMBL7078221 0.82 ADRA1D (0.46) ADRA1DADRA1AADRA1B
SCHEMBL7079575 0.82 ADRA1D (0.59) ADRA1DADRA1AADRA1B
SCHEMBL8149095 0.82 ADRA1D (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 — — EP claimed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 — — EP claimed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 — — WO claimed