SCHEMBL5147283

SCHEMBL5147283

C[C@H](Cc1cn(C(=O)O)cn1)NC(=O)[C@H](C)N

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 17/20 0.39
CTRB1 P17538 3/20 0.37
CPB1 P15086 6/20 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
SCHEMBL18319699 0.85 MTNR1A (0.40) CPB2
SCHEMBL7131533 0.81 CPB2 (0.35) CPB2CPB1
SCHEMBL594580 0.81 CPB2 (0.42) CPB2CPB1
Hydrochloric Acid SCHEMBL1521823 0.80 CPB2 (0.41) CPB2CPB1
Hydrochloric Acid SCHEMBL11418503 0.80 CPB2 (0.41) CPB2CPB1
SCHEMBL5795636 0.80 CPB2 (0.39) CPB2CPB1
Hydrochloric Acid SCHEMBL3428343 0.79 CPB2 (0.40) CPB2CPB1
SCHEMBL4727798 0.76 CYP1A2 (0.45) CPB2CPB1
SCHEMBL4726518 0.76 CYP1A2 (0.45) CPB2CPB1
SCHEMBL25431018 0.72 CPB2 (0.46) CPB2CPB1

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
US-7198847-B2 Nanocrystals INVITROGEN CORPORATION (US) 2007-04-03 US disclosed
US-20050112376-A1 Nanocrystals Life Technologies Corporation 2005-05-26 US disclosed