SCHEMBL7971016

SCHEMBL7971016

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCC2CN([C@H]3CC[C@H](c4ccccc4OCCC(=O)O)CC3)C2)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.55
ADRA1D P25100 19/20 0.55
ADRA1B P35368 19/20 0.55

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
SCHEMBL7971028 1.00 ADRA1A (0.55) ADRA1AADRA1DADRA1B
SCHEMBL7966093 0.94 ADRA1A (0.56) ADRA1AADRA1DADRA1B
SCHEMBL7966097 0.94 ADRA1A (0.56) ADRA1AADRA1DADRA1B
SCHEMBL7964951 0.92 ADRA1A (0.58) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7964953 0.91 ADRA1A (0.58) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7964950 0.91 ADRA1A (0.58) ADRA1AADRA1DADRA1B
SCHEMBL7971021 0.90 ADRA1A (0.51) ADRA1AADRA1DADRA1B
SCHEMBL7082198 0.86 ADRA1A (0.72) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7082201 0.86 ADRA1A (0.71) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7082195 0.86 ADRA1A (0.71) 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 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