SCHEMBL7711279

SCHEMBL7711279

COC(=O)C1=C(C(C)OC)NC(=O)N(C(=O)NCCNC2CCN(c3cccc(F)c3)CC2)[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.55
ADRA1D P25100 18/20 0.55
ADRA1B P35368 18/20 0.55
MCHR1 Q99705 2/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL7715804 0.87 ADRA1A (0.62) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7711281 0.86 ADRA1A (0.55) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7716770 0.80 ADRA1A (0.59) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7718972 0.80 ADRA1A (0.65) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7718932 0.77 ADRA1A (0.58) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7716615 0.76 ADRA1A (0.60) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7716795 0.76 ADRA1A (0.63) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7711198 0.75 ADRA1A (0.67) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7716753 0.75 ADRA1A (0.58) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7715847 0.75 ADRA1A (0.59) ADRA1AADRA1DADRA1BMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed