SCHEMBL7954955

SCHEMBL7954955

O=C(N[C@@H]1CCN(C2CCC(c3ccc(F)cc3)CC2)C1)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.40
ADRA1B P35368 16/20 0.40
ADRA1D P25100 15/20 0.40
HRH1 P35367 2/20 0.40
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7969406 0.89 ADRA1D (0.42) ADRA1AADRA1BADRA1D
SCHEMBL7969403 0.89 ADRA1D (0.42) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL7968852 0.88 ADRA1D (0.41) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL7968851 0.88 ADRA1D (0.41) ADRA1AADRA1BADRA1D
SCHEMBL7954750 0.88 CCR2 (0.39) ADRA1AADRA1BADRA1D
SCHEMBL7955021 0.88 ADRA1D (0.41) ADRA1AADRA1BADRA1D
SCHEMBL6959581 0.88 ADRA1D (0.41) ADRA1AADRA1BADRA1D
SCHEMBL6956402 0.88 ADRA1D (0.41) ADRA1AADRA1BADRA1D
SCHEMBL7971217 0.86 ADRA1D (0.43) ADRA1AADRA1BADRA1D
SCHEMBL7970418 0.86 ADRA1D (0.43) ADRA1AADRA1BADRA1D

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-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed