SCHEMBL7954750

SCHEMBL7954750

O=C(N[C@@H]1CCN(C2CCC(O)(c3ccc(F)cc3)CC2)C1)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.39
KCNH2 Q12809 3/20 0.39
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34

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
SCHEMBL7967441 0.92 CCR2 (0.37) CCR2KCNH2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7955624 0.91 CCR2 (0.36) CCR2KCNH2ADRA1DADRA1AADRA1B
SCHEMBL6956972 0.88 ADRA1D (0.35) CCR2KCNH2ADRA1DADRA1AADRA1B
SCHEMBL7954955 0.88 ADRA1A (0.40) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6960276 0.87 ADRA1D (0.35) CCR2KCNH2ADRA1DADRA1AADRA1B
SCHEMBL8142916 0.85 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1B
SCHEMBL7967766 0.85 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1B
SCHEMBL6960684 0.85 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7966340 0.85 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6966181 0.85 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1B

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