SCHEMBL7963185

SCHEMBL7963185

C[C@H]1CC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.67
ADRA1B P35368 17/20 0.67
ADRA1D P25100 16/20 0.67
HRH1 P35367 4/20 0.67
ADRA2A P08913 3/20 0.59
ADRA2B P18089 3/20 0.59
ADRA2C P18825 3/20 0.59
MCHR1 Q99705 2/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL7966169 1.00 ADRA1A (0.67) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7963294 1.00 ADRA1A (0.67) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7963924 1.00 ADRA1A (0.67) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7962245 0.99 ADRA1A (0.66) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7971478 0.87 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962803 0.87 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962799 0.87 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7963307 0.86 ADRA1A (0.64) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7959815 0.85 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7960501 0.85 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-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US claimed
US-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US disclosed