SCHEMBL8554719

SCHEMBL8554719

COC(=O)C1=C(C)N(N(C=O)CCCN2CCC(c3ccccn3)CC2)C(=O)NC1c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.55
ADRA1D P25100 16/20 0.46
ADRA1B P35368 16/20 0.46
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL6197410 0.94 ADRA1A (0.49) ADRA1AADRA1DADRA1BDRD2DRD4
Hydrochloric Acid SCHEMBL6200207 0.93 ADRA1A (0.49) ADRA1AADRA1DADRA1BDRD2DRD4
SCHEMBL7796529 0.92 ADRA1A (0.54) ADRA1AADRA1DADRA1BDRD2DRD4
Cadaverine Tartrate SCHEMBL8136242 0.89 ADRA1A (0.52) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL6646907 0.89 ADRA1A (0.55) ADRA1AADRA1DADRA1BDRD2
Hydrochloric Acid SCHEMBL6787204 0.84 ADRA1A (0.58) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL9055621 0.84 ADRA1A (0.52) ADRA1AADRA1DADRA1BDRD2DRD4
SCHEMBL6732872 0.84 ADRA1A (0.48) ADRA1AADRA1DADRA1BDRD2DRD4
SCHEMBL7640674 0.83 ADRA1A (0.59) ADRA1AADRA1DADRA1BDRD2
SCHEMBL6729949 0.82 ADRA1A (0.63) ADRA1AADRA1DADRA1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed