SCHEMBL6217682

SCHEMBL6217682

COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CC=C(c3ccccn3)CC2)C1c1ccc(F)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.66
ADRA1A P35348 20/20 0.66
ADRA1B P35368 20/20 0.66

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 SCHEMBL6784837 0.99 ADRA1D (0.66) ADRA1DADRA1AADRA1B
SCHEMBL6735531 0.76 ADRA1A (1.00) ADRA1DADRA1AADRA1B
SCHEMBL6735535 0.76 ADRA1A (1.00) ADRA1DADRA1AADRA1B
SCHEMBL6270146 0.76 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL6194108 0.76 ADRA1D (0.68) ADRA1DADRA1AADRA1B
SCHEMBL5660436 0.75 ADRA1A (0.74) ADRA1DADRA1AADRA1B
SCHEMBL13939624 0.75 ADRA1D (0.70) ADRA1DADRA1AADRA1B
SCHEMBL6201215 0.74 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL7681103 0.72 ADRA1A (0.71) ADRA1DADRA1AADRA1B
SCHEMBL3988767 0.71 ADRA1A (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed