SCHEMBL7674552

SCHEMBL7674552

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC3(CC2)c2ccccc2CCc2ccccc23)C(=O)N1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.77
ADRA1D P25100 16/20 0.77
ADRA1B P35368 16/20 0.77
MCHR1 Q99705 3/20 0.65
DRD2 P14416 1/20 0.65

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
SCHEMBL7681626 0.89 ADRA1A (0.73) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7680804 0.88 ADRA1A (0.72) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7529896 0.88 ADRA1A (0.78) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7672355 0.87 ADRA1A (0.71) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7681103 0.86 ADRA1A (0.71) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6198449 0.86 ADRA1A (0.79) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7527719 0.85 ADRA1A (0.78) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7534012 0.82 ADRA1A (0.86) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6764196 0.82 ADRA1A (0.81) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6735535 0.81 ADRA1A (1.00) ADRA1AADRA1DADRA1BMCHR1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US claimed
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed