SCHEMBL7969403

SCHEMBL7969403

O=C(N[C@@H]1CCN(C2CCC(c3ccccc3F)CC2)C1)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 0.42
ADRA1A P35348 17/20 0.42
ADRA1B P35368 17/20 0.42
DRD2 P14416 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL7969406 1.00 ADRA1D (0.42) ADRA1DADRA1AADRA1BDRD2NAMPT
Hydrochloric Acid SCHEMBL7968851 0.99 ADRA1D (0.41) ADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL7968852 0.99 ADRA1D (0.41) ADRA1DADRA1AADRA1BDRD2
SCHEMBL6959581 0.94 ADRA1D (0.41) ADRA1DADRA1AADRA1BDRD2
SCHEMBL7955021 0.94 ADRA1D (0.41) ADRA1DADRA1AADRA1BDRD2
SCHEMBL6956402 0.94 ADRA1D (0.41) ADRA1DADRA1AADRA1BDRD2
SCHEMBL7955554 0.91 ADRA1D (0.52) ADRA1DADRA1AADRA1B
SCHEMBL6965559 0.91 ADRA1D (0.52) ADRA1DADRA1AADRA1B
SCHEMBL6955126 0.91 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2
SCHEMBL7970418 0.91 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2

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