SCHEMBL8523555

SCHEMBL8523555

COC(=O)C1=C(C)N=C(C)N(CCCCNC2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.78
ADRA1A P35348 20/20 0.78
ADRA1B P35368 20/20 0.78

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 SCHEMBL7952888 0.99 ADRA1D (0.77) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7952891 0.99 ADRA1D (0.77) ADRA1DADRA1AADRA1B
SCHEMBL8523556 0.82 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL6218903 0.80 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL6198376 0.78 ADRA1D (1.00) ADRA1DADRA1AADRA1B
SCHEMBL6198895 0.77 ADRA1D (0.68) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7958027 0.76 ADRA1D (0.58) ADRA1DADRA1AADRA1B
SCHEMBL7944470 0.76 ADRA1D (0.68) ADRA1DADRA1AADRA1B
SCHEMBL6197192 0.75 ADRA1D (0.69) ADRA1DADRA1AADRA1B
SCHEMBL6199928 0.75 ADRA1D (0.69) 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
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed