SCHEMBL8669156

SCHEMBL8669156

CCC1=C(C(=O)OCc2ccccc2)C(c2ccc(F)cc2F)N(C(=O)N(O)CCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.66
ADRA1A P35348 20/20 0.66
ADRA1B P35368 20/20 0.66
OPRM1 P35372 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
SCHEMBL6785268 0.87 ADRA1D (0.60) ADRA1DADRA1AADRA1B
SCHEMBL6291406 0.82 ADRA1D (0.48) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6785271 0.77 ADRA1A (0.50) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6782946 0.77 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL7944684 0.75 ADRA1D (0.49) ADRA1DADRA1AADRA1B
SCHEMBL6201662 0.74 ADRA1D (0.61) ADRA1DADRA1AADRA1B
SCHEMBL6713564 0.71 ADRA1A (0.64) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6245662 0.70 ADRA1A (0.53) ADRA1DADRA1AADRA1BOPRM1
SCHEMBL6245660 0.69 ADRA1D (0.53) ADRA1DADRA1AADRA1B
SCHEMBL7953351 0.68 ADRA1D (0.42) 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 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