SCHEMBL7962592

SCHEMBL7962592

O=C(NCCCN1CCC(c2ccc(F)cc2)CC1)N1C(=O)NCC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.65
ADRA1B P35368 16/20 0.65
ADRA1D P25100 15/20 0.65
HRH1 P35367 3/20 0.65
ADRA2A P08913 2/20 0.60
ADRA2B P18089 2/20 0.60
ADRA2C P18825 2/20 0.60
MCHR1 Q99705 2/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL7951821 1.00 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7963112 0.99 ADRA1A (0.64) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7959697 0.87 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7963896 0.86 ADRA1A (0.68) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962799 0.86 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7971478 0.86 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962803 0.86 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7964181 0.85 ADRA1A (0.64) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7963307 0.85 ADRA1A (0.64) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7959838 0.83 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