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SCHEMBL7084757

SCHEMBL7084757

COCC1=C(C(=O)O)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CCN(C3CCC(c4ccc(F)cc4O)CC3)C2)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 19/20 0.56
▸ ADRA1A P35348 19/20 0.56
▸ ADRA1B P35368 19/20 0.56
▸ MCHR1 Q99705 1/20 0.45

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
SCHEMBL7083091 0.95 ADRA1A (0.63) ADRA1DADRA1AADRA1BMCHR1
Hydrochloric Acid SCHEMBL7967998 0.94 ADRA1A (0.62) ADRA1DADRA1AADRA1BMCHR1
SCHEMBL7165425 0.93 ADRA1D (0.56) ADRA1DADRA1AADRA1BMCHR1
SCHEMBL7079788 0.93 ADRA1A (0.62) ADRA1DADRA1AADRA1B
SCHEMBL7083966 0.87 ADRA1A (0.61) ADRA1DADRA1AADRA1B
SCHEMBL7971063 0.87 ADRA1A (0.62) ADRA1DADRA1AADRA1BMCHR1
SCHEMBL7966193 0.87 ADRA1A (0.62) ADRA1DADRA1AADRA1BMCHR1
SCHEMBL7163560 0.87 ADRA1A (0.62) ADRA1DADRA1AADRA1BMCHR1
SCHEMBL7078394 0.87 ADRA1A (0.69) ADRA1DADRA1AADRA1BMCHR1
SCHEMBL7078398 0.87 ADRA1A (0.69) ADRA1DADRA1AADRA1BMCHR1

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