SCHEMBL7971021

SCHEMBL7971021

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCC2CN(C3CCC(c4ccc(OCCC(=O)O)cc4)CC3)C2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.51
ADRA1D P25100 16/20 0.51
ADRA1B P35368 16/20 0.51
MCHR1 Q99705 3/20 0.49
DRD2 P14416 1/20 0.49

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
SCHEMBL7971016 0.90 ADRA1A (0.55) ADRA1AADRA1DADRA1B
SCHEMBL7971028 0.90 ADRA1A (0.55) ADRA1AADRA1DADRA1B
SCHEMBL7966093 0.84 ADRA1A (0.56) ADRA1AADRA1DADRA1B
SCHEMBL7966097 0.84 ADRA1A (0.56) ADRA1AADRA1DADRA1B
SCHEMBL7967692 0.84 ADRA1A (0.71) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7967690 0.83 ADRA1A (0.70) ADRA1AADRA1DADRA1B
SCHEMBL7964951 0.83 ADRA1A (0.58) ADRA1AADRA1DADRA1B
SCHEMBL7971283 0.83 ADRA1A (0.38) ADRA1AADRA1DADRA1BMCHR1
Hydrochloric Acid SCHEMBL7964953 0.83 ADRA1A (0.58) ADRA1AADRA1DADRA1BMCHR1
Hydrochloric Acid SCHEMBL7964950 0.83 ADRA1A (0.58) ADRA1AADRA1DADRA1BMCHR1

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