SCHEMBL3501671

SCHEMBL3501671

NCC(N)Cc1c[nH]cn1.NN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.34
CPB1 P15086 1/20 0.34

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
SCHEMBL1666636 0.90 CPB2 (0.36) CPB2CPB1
SCHEMBL1666632 0.90 CPB2 (0.36) CPB2CPB1
SCHEMBL1331492 0.90 CPB2 (0.36) CPB2CPB1
SCHEMBL2516273 0.81
SCHEMBL18547804 0.81
SCHEMBL1159856 0.81 CPB2 (0.35) CPB2CPB1
SCHEMBL8526485 0.79 CPB2 (0.34) CPB2CPB1
SCHEMBL8526486 0.79 CPB2 (0.34) CPB2CPB1
SCHEMBL31735189 0.79 CYP3A4 (0.35) CPB2CPB1
SCHEMBL13267780 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184134-A1 DUAL CHARGING SYSTEM FOR SELECTIVELY INTRODUCING NON-NATIVE AMINO ACIDS INTO PROTEINS USING AN IN VITRO SYNTHESIS METHOD SUTRO BIOPHARMA, INC. (US) 2010-07-22 US disclosed