SCHEMBL7964225

SCHEMBL7964225

C[C@@H]1OC(=O)N(C(=O)N[C@@H]2CCN(C3CCC(c4ccccn4)CC3)C2)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 14/20 0.50
ADRA1B P35368 12/20 0.50
ADRA1D P25100 11/20 0.50
HRH1 P35367 1/20 0.46
USP30 Q70CQ3 1/20 0.38
CCR2 P41597 2/20 0.37
CCRL2 O00421 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACKR3 P25106 1/20 0.35

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
Hydrochloric Acid SCHEMBL7955646 0.99 ADRA1A (0.49) ADRA1AADRA1BADRA1DHRH1USP30
SCHEMBL7967882 0.90 ADRA1A (0.51) ADRA1AADRA1BADRA1DHRH1USP30
SCHEMBL7967885 0.90 ADRA1A (0.51) ADRA1AADRA1BADRA1DHRH1USP30
SCHEMBL6964799 0.85 ADRA1A (0.51) ADRA1AADRA1BADRA1DUSP30CCR2
SCHEMBL7970730 0.85 ADRA1A (0.51) ADRA1AADRA1BADRA1DUSP30CCR2
SCHEMBL7971326 0.85 ADRA1A (0.51) ADRA1AADRA1BADRA1DUSP30CCR2
Hydrochloric Acid SCHEMBL7967251 0.84 ADRA1A (0.51) ADRA1AADRA1BADRA1DUSP30CCR2
Hydrochloric Acid SCHEMBL7968249 0.84 ADRA1A (0.51) ADRA1AADRA1BADRA1DUSP30CCR2
Hydrochloric Acid SCHEMBL6964411 0.84 ADRA1A (0.51) ADRA1AADRA1BADRA1DUSP30CCR2
SCHEMBL7168450 0.80 ADRA1A (0.60) 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 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