SCHEMBL7971277

SCHEMBL7971277

CC(Oc1ccccc1C1CCC(N2CC(N(C)C(=O)N3C(=O)Nc4cocc4[C@@H]3c3ccc(F)c(F)c3)C2)CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 16/20 0.36
ADRA1A P35348 16/20 0.36
ADRA1B P35368 16/20 0.36
DRD2 P14416 1/20 0.36
SSTR4 P31391 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7971010 0.83 ADRA1A (0.53) ADRA1DADRA1AADRA1B
SCHEMBL7707903 0.77 ADRA1D (0.47) ADRA1DADRA1AADRA1BKCNH2
SCHEMBL7707906 0.77 ADRA1D (0.47) ADRA1DADRA1AADRA1BKCNH2
SCHEMBL7707365 0.76 ADRA1A (0.46) ADRA1DADRA1AADRA1BKCNH2
SCHEMBL7707363 0.76 ADRA1A (0.46) ADRA1DADRA1AADRA1BKCNH2
SCHEMBL7971286 0.74 ADRA1A (0.37) ADRA1DADRA1AADRA1B
SCHEMBL7166525 0.74 ADRA1A (0.37) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7964947 0.73 ADRA1A (0.55) ADRA1DADRA1AADRA1B
SCHEMBL7966089 0.73 ADRA1A (0.53) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7082192 0.69 ADRA1D (0.68) ADRA1DADRA1AADRA1B

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