Sugi Predict

Sugi Predict / Compounds / SCHEMBL7924062

SCHEMBL7924062

SCHEMBL7924062

CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)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
▸ HRH1 P35367 9/20 1.00
▸ ADRA2A P08913 8/20 1.00
▸ ADRA2B P18089 8/20 1.00
▸ ADRA2C P18825 8/20 1.00
▸ ADRA1D P25100 13/20 0.89
▸ ADRA1B P35368 13/20 0.89

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
SCHEMBL7934211 0.94 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7930703 0.94 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7932825 0.92 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7928705 0.89 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7932391 0.89 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7932944 0.89 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7930748 0.86 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7924094 0.84 ADRA1A (0.81) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7932836 0.83 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C
SCHEMBL7934181 0.83 ADRA1A (1.00) ADRA1AHRH1ADRA2AADRA2BADRA2C

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