SCHEMBL8640592

SCHEMBL8640592

CCC1=C(C(=O)O)C(c2ccc(F)cc2F)NC(=O)N1NC(=O)CCCN1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 19/20 0.56
ADRA1A P35348 19/20 0.56
ADRA1B P35368 18/20 0.56
HRH1 P35367 1/20 0.41

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
SCHEMBL6245660 0.83 ADRA1D (0.53) ADRA1DADRA1AADRA1BHRH1
SCHEMBL6782951 0.80 ADRA1A (0.53) ADRA1DADRA1AADRA1BHRH1
SCHEMBL6245662 0.77 ADRA1A (0.53) ADRA1DADRA1AADRA1BHRH1
SCHEMBL6201664 0.74 ADRA1A (0.53) ADRA1DADRA1AADRA1BHRH1
SCHEMBL6782946 0.74 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL6785271 0.73 ADRA1A (0.50) ADRA1DADRA1AADRA1B
SCHEMBL6201662 0.69 ADRA1D (0.61) ADRA1DADRA1AADRA1B
SCHEMBL9053325 0.68 DRD2 (0.72) ADRA1AHRH1
SCHEMBL6785268 0.67 ADRA1D (0.60) ADRA1DADRA1AADRA1B
SCHEMBL1594237 0.66 ADRA1A (0.46) ADRA1DADRA1AADRA1BHRH1

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
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 WO disclosed