SCHEMBL7680355

SCHEMBL7680355

O=C1COCN1C(=O)N(CCCN1CCC2(CC1)c1ccccc1-c1ccccc12)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 15/20 0.46
MCHR1 Q99705 14/20 0.46
ADRA1D P25100 5/20 0.36
ADRA1B P35368 5/20 0.36
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL7675324 0.86 ADRA1A (0.44) ADRA1AMCHR1ADRA1DADRA1BHRH3
SCHEMBL7674314 0.85 ADRA1A (0.41) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7675363 0.82 MCHR1 (0.41) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7672602 0.81 MCHR1 (0.40) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7675282 0.81 ADRA1A (0.40) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7675270 0.79 ADRA1A (0.40) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7675275 0.78 ADRA1A (0.43) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7676403 0.78 ADRA1A (0.42) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7675243 0.77 ADRA1A (0.42) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7674551 0.76 ADRA1A (0.41) ADRA1AMCHR1ADRA1DADRA1B

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 1 patent. 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 disclosed