SCHEMBL6956972

SCHEMBL6956972

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 14/20 0.35
ADRA1A P35348 14/20 0.35
ADRA1B P35368 14/20 0.35
CCR2 P41597 5/20 0.35
KCNH2 Q12809 1/20 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
Hydrochloric Acid SCHEMBL6960276 0.99 ADRA1D (0.35) ADRA1DADRA1AADRA1BCCR2KCNH2
SCHEMBL7954750 0.88 CCR2 (0.39) ADRA1DADRA1AADRA1BCCR2KCNH2
SCHEMBL6960684 0.88 CCR2 (0.48) ADRA1DADRA1AADRA1BCCR2
SCHEMBL8142916 0.88 CCR2 (0.48) ADRA1DADRA1AADRA1BCCR2
SCHEMBL7967766 0.88 CCR2 (0.48) ADRA1DADRA1AADRA1BCCR2
Hydrochloric Acid SCHEMBL6966181 0.87 CCR2 (0.48) ADRA1DADRA1AADRA1BCCR2
Hydrochloric Acid SCHEMBL6955666 0.87 CCR2 (0.48) ADRA1DADRA1AADRA1BCCR2
Hydrochloric Acid SCHEMBL7966340 0.87 CCR2 (0.48) ADRA1DADRA1AADRA1BCCR2
SCHEMBL7967441 0.85 CCR2 (0.37) ADRA1DADRA1AADRA1BCCR2KCNH2
SCHEMBL7969403 0.85 ADRA1D (0.42) ADRA1DADRA1AADRA1B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP claimed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP claimed
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
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO 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