SCHEMBL7970730

SCHEMBL7970730

O=C(N[C@@H]1CCN([C@H]2CC[C@H](c3ccccn3)CC2)C1)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.51
ADRA1D P25100 8/20 0.51
ADRA1B P35368 8/20 0.51
USP30 Q70CQ3 1/20 0.39
CCR2 P41597 2/20 0.38
CCRL2 O00421 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACKR3 P25106 1/20 0.36
SLC6A9 P48067 2/20 0.36
DRD4 P21917 2/20 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
SCHEMBL6964799 1.00 ADRA1A (0.51) ADRA1AADRA1DADRA1BUSP30CCR2
SCHEMBL7971326 1.00 ADRA1A (0.51) ADRA1AADRA1DADRA1BUSP30CCR2
Hydrochloric Acid SCHEMBL6964411 0.99 ADRA1A (0.51) ADRA1AADRA1DADRA1BUSP30CCR2
Hydrochloric Acid SCHEMBL7968249 0.99 ADRA1A (0.51) ADRA1AADRA1DADRA1BUSP30CCR2
Hydrochloric Acid SCHEMBL7967251 0.99 ADRA1A (0.51) ADRA1AADRA1DADRA1BUSP30CCR2
SCHEMBL7969403 0.87 ADRA1D (0.42) ADRA1AADRA1DADRA1B
SCHEMBL7969406 0.87 ADRA1D (0.42) ADRA1AADRA1DADRA1B
SCHEMBL7967934 0.87 ADRA1A (0.44) ADRA1AADRA1DADRA1BUSP30CCR2
Hydrochloric Acid SCHEMBL7968852 0.86 ADRA1D (0.41) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7968851 0.86 ADRA1D (0.41) ADRA1AADRA1DADRA1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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