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Sugi Predict / Compounds / SCHEMBL7930708

SCHEMBL7930708

SCHEMBL7930708

CC1=C(C(=O)O)C(c2ccc(F)c(F)c2)CC(=O)N1C(CC(N)=O)N1CCC(C#N)(c2ccc(F)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 0.55
▸ ADRA1D P25100 13/20 0.55
▸ ADRA1B P35368 13/20 0.55
▸ HRH1 P35367 8/20 0.55
▸ ADRA2A P08913 7/20 0.55
▸ ADRA2B P18089 7/20 0.55
▸ ADRA2C P18825 7/20 0.55

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
SCHEMBL7924068 0.94 ADRA1A (0.57) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7928708 0.92 ADRA1A (0.55) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932828 0.89 ADRA1A (0.57) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7924097 0.86 ADRA1A (0.57) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7994822 0.83 ADRA1A (0.57) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930750 0.82 ADRA1A (0.55) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930756 0.82 ADRA1A (0.50) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7924086 0.79 ADRA1A (0.55) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL8003866 0.77 ADRA1A (0.59) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7930721 0.75 ADRA1A (0.38) ADRA1AADRA1DADRA1BHRH1ADRA2A

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-6235759-B1 BENIGN PROSTATIC HYPERPLASIA; HYPOTENSIVE AGENTS MERCK & CO., INC. 2001-05-22 — — US disclosed