SCHEMBL8655005

SCHEMBL8655005

CCC1=CC(c2ccc(F)c(F)c2)N(N(C=O)CCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 19/20 0.47
ADRA1A P35348 19/20 0.47
ADRA1B P35368 19/20 0.47
OPRM1 P35372 1/20 0.47
KCNA3 P22001 1/20 0.39

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 SCHEMBL6969563 0.77 ADRA1D (0.51) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL7967228 0.76 ADRA1D (0.59) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL8658997 0.76 ADRA1D (0.53) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6782168 0.72 ADRA1D (0.65) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL7953254 0.72 ADRA1A (0.52) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6784825 0.70 ADRA1A (0.52) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6782598 0.70 ADRA1A (0.54) ADRA1DADRA1AADRA1B
SCHEMBL8554552 0.67 ADRA1A (0.53) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL7528253 0.67 ADRA1A (0.71) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7526070 0.67 ADRA1A (0.61) 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 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