SCHEMBL6214112

SCHEMBL6214112

COC(=O)C1=C(C)NC(=O)N(C(=O)N(O)CCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.78
ADRA1D P25100 18/20 0.78
ADRA1B P35368 18/20 0.78
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57

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
SCHEMBL6219138 0.89 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6296632 0.86 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6782399 0.85 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6272493 0.84 ADRA1A (0.67) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL8596943 0.82 ADRA1A (0.57) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL8592793 0.82 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785443 0.81 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6793226 0.81 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7236022 0.79 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6269746 0.79 ADRA1A (0.60) ADRA1AADRA1DADRA1BADRA2AADRA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed