SCHEMBL7202306

SCHEMBL7202306

CCn1cnc(CC(NCCN)C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 16/20 1.00
CPB1 P15086 6/20 0.82
TRHR P34981 1/20 0.41
SMYD3 Q9H7B4 1/20 0.38
GGT1 P19440 1/20 0.38
TRHDE Q9UKU6 1/20 0.37

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
SCHEMBL3839300 1.00 CPB2 (1.00) CPB2CPB1TRHRSMYD3GGT1
SCHEMBL6268747 0.90 CPB2 (1.00) CPB2CPB1GGT1TRHDE
SCHEMBL3839535 0.90 CPB2 (1.00) CPB2CPB1GGT1TRHDE
SCHEMBL3845162 0.88 CPB2 (0.93) CPB2CPB1
SCHEMBL3838506 0.88 CPB2 (1.00) CPB2CPB1GGT1TRHDE
SCHEMBL3841445 0.87 CPB2 (0.77) CPB2CPB1GGT1TRHDE
SCHEMBL3844062 0.85 CPB2 (0.79) CPB2CPB1GGT1
SCHEMBL3843789 0.84 CPB2 (0.73) CPB2CPB1TRHRGGT1
SCHEMBL3842771 0.83 CPB2 (0.71) CPB2CPB1TRHRTRHDE
SCHEMBL25474836 0.82 CPB2 (0.70) CPB2CPB1TRHRSMYD3TRHDE

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-1311488-A1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS Pfizer Limited (GB) 2003-05-21 EP disclosed
WO-2002014285-A1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2002-02-21 WO disclosed