SCHEMBL16900397

SCHEMBL16900397

CCNCC(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL16900396 0.86
SCHEMBL13901974 0.84 CYP3A4 (0.31)
SCHEMBL14319829 0.84 CYP3A4 (0.31)
SCHEMBL18819939 0.84 CYP3A4 (0.31)
SCHEMBL14693191 0.82 CPB2 (0.31)
SCHEMBL1117817 0.81 SLC15A1 (0.33)
SCHEMBL15314080 0.81 CYP3A4 (0.31)
SCHEMBL16280971 0.81 CYP3A4 (0.31)
SCHEMBL15292000 0.81 SLC15A1 (0.40)
SCHEMBL13270040 0.80 OPRM1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9517273-B2 Methods of treatment using modified FGF-21 polypeptides comprising non-naturally occurring amino acids AMBRX, INC. (US) 2016-12-13 US disclosed
US-20150273075-A1 THERAPEUTIC USES OF MODIFIED FGF-21 POLYPEPTIDES COMPRISING NON-NATURALLY OCCURRING AMINO ACIDS AMBRX, INC. 2015-10-01 US disclosed
US-9079971-B2 Modified FGF-21 polypeptides comprising non-naturally occurring amino acids AMBRX, INC. (US) 2015-07-14 US disclosed