SCHEMBL7970418

SCHEMBL7970418

COc1ccccc1[C@H]1CC[C@H](N2CC[C@@H](NC(=O)N3C(=O)OC[C@@H]3c3ccc(F)c(F)c3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 15/20 0.43
ADRA1A P35348 15/20 0.43
ADRA1B P35368 15/20 0.43
DRD2 P14416 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
MGLL Q99685 2/20 0.37

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
SCHEMBL6955126 1.00 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2CHRM2
SCHEMBL7971217 1.00 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2CHRM2
Hydrochloric Acid SCHEMBL6967094 0.99 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2CHRM2
Hydrochloric Acid SCHEMBL7955817 0.99 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2CHRM2
Hydrochloric Acid SCHEMBL8142694 0.99 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2CHRM2
SCHEMBL7969406 0.91 ADRA1D (0.42) ADRA1DADRA1AADRA1BDRD2
SCHEMBL7969403 0.91 ADRA1D (0.42) ADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL7968851 0.90 ADRA1D (0.41) ADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL7968852 0.90 ADRA1D (0.41) ADRA1DADRA1AADRA1BDRD2
SCHEMBL7955021 0.89 ADRA1D (0.41) 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