SCHEMBL6960684

SCHEMBL6960684

O=C(N[C@@H]1CCN(C2CCC(O)(c3ccccn3)CC2)C1)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.48
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
ACKR3 P25106 7/20 0.37
SLC6A9 P48067 1/20 0.36

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
SCHEMBL7967766 1.00 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1BACKR3
SCHEMBL8142916 1.00 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1BACKR3
Hydrochloric Acid SCHEMBL6955666 0.99 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1BACKR3
Hydrochloric Acid SCHEMBL6966181 0.99 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1BACKR3
Hydrochloric Acid SCHEMBL7966340 0.99 CCR2 (0.48) CCR2ADRA1DADRA1AADRA1BACKR3
SCHEMBL6956972 0.88 ADRA1D (0.35) CCR2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6960276 0.87 ADRA1D (0.35) CCR2ADRA1DADRA1AADRA1B
SCHEMBL7971326 0.85 ADRA1A (0.51) CCR2ADRA1DADRA1AADRA1BACKR3
SCHEMBL7970730 0.85 ADRA1A (0.51) CCR2ADRA1DADRA1AADRA1BACKR3
SCHEMBL6964799 0.85 ADRA1A (0.51) CCR2ADRA1DADRA1AADRA1BACKR3

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 9 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
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP 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
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed