SCHEMBL7967228

SCHEMBL7967228

CCC1=C(NC=O)C(c2ccc(F)c(F)c2)N(N(C=O)CCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.59
ADRA1A P35348 20/20 0.59
ADRA1B P35368 20/20 0.59
OPRM1 P35372 1/20 0.59

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
SCHEMBL6782168 0.82 ADRA1D (0.65) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL8658997 0.80 ADRA1D (0.53) ADRA1DADRA1AADRA1BOPRM1
Hydrochloric Acid SCHEMBL6969563 0.79 ADRA1D (0.51) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL7971293 0.78 ADRA1A (0.64) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL7528253 0.78 ADRA1A (0.71) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7526070 0.78 ADRA1A (0.61) ADRA1DADRA1AADRA1B
SCHEMBL6291912 0.77 ADRA1D (0.67) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL8655005 0.76 ADRA1D (0.47) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6785334 0.76 ADRA1A (0.49) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6201662 0.76 ADRA1D (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
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