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SCHEMBL7930736

SCHEMBL7930736

CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 1.00
▸ ADRA1D P25100 12/20 1.00
▸ ADRA1B P35368 12/20 1.00
▸ HRH1 P35367 8/20 1.00
▸ ADRA2A P08913 7/20 1.00
▸ ADRA2B P18089 7/20 1.00
▸ ADRA2C P18825 7/20 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
SCHEMBL7932938 1.00 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932836 0.92 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7934181 0.92 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932944 0.89 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7928705 0.88 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932391 0.88 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7923884 0.87 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932381 0.86 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932392 0.84 ADRA1A (1.00) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7932823 0.84 ADRA1A (1.00) 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