SCHEMBL8596050

SCHEMBL8596050

CCC1=C(C(=O)OCCC#N)C(c2cnno2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(OC)=N1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.31
BCL9 O00512 1/20 0.31
CTNNB1 P35222 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6197215 0.89 ADRA1A (0.36) ADRA1ABCL9CTNNB1KMT2A
SCHEMBL8337661 0.89 ADRA1A (0.36) ADRA1ABCL9CTNNB1KMT2A
SCHEMBL6786377 0.81
SCHEMBL6782160 0.77 ADRA1A (0.36) ADRA1AKMT2A
SCHEMBL6217186 0.71 ADRA1A (0.37) ADRA1AKMT2A
SCHEMBL6646229 0.70 ADRA1D (0.39) ADRA1ABCL9CTNNB1KMT2A
SCHEMBL6216267 0.69 PDE1C (0.38)
SCHEMBL6782795 0.68 ADRA1A (0.36) ADRA1AKMT2A
SCHEMBL6715274 0.68 BCL9 (0.35) ADRA1ABCL9CTNNB1
SCHEMBL6715281 0.68 BCL9 (0.35) ADRA1ABCL9CTNNB1

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