SCHEMBL7655720

SCHEMBL7655720

CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)C(c2ccc(F)c(F)c2)N(C)C(=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
ADRA1B P35368 19/20 1.00
ADRA1D P25100 18/20 1.00
HRH1 P35367 5/20 0.65
ADRA2A P08913 4/20 0.65
ADRA2B P18089 4/20 0.65
ADRA2C P18825 4/20 0.65

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
SCHEMBL7932823 0.84 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7932392 0.84 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7932947 0.79 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7930753 0.79 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7963896 0.76 ADRA1A (0.68) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7930738 0.74 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL6954383 0.72 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7658901 0.72 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7702046 0.72 ADRA1A (0.67) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962592 0.72 ADRA1A (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US claimed
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US disclosed