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Sugi Predict / Compounds / SCHEMBL7932947

SCHEMBL7932947

SCHEMBL7932947

CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)CC(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 1.00
▸ ADRA1B P35368 17/20 1.00
▸ ADRA1D P25100 16/20 1.00
▸ HRH1 P35367 7/20 1.00
▸ ADRA2A P08913 5/20 1.00
▸ ADRA2B P18089 5/20 1.00
▸ ADRA2C P18825 5/20 1.00

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
SCHEMBL7930753 1.00 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7930748 0.88 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL5663966 0.87 ADRA1A (0.76) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7930718 0.86 ADRA1A (0.76) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7924085 0.86 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7932392 0.85 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7932823 0.85 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL5661455 0.85 ADRA1A (0.73) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7928705 0.85 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7932391 0.85 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A

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