SCHEMBL748017

SCHEMBL748017

C#CCN1CC(=O)N2[C@@H](CC(C)C)C(=O)N(CC)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.51
CYP3A4 P08684 19/20 0.43

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
SCHEMBL746107 0.94 CLPP (0.51) CLPPCYP3A4
SCHEMBL748133 0.94 CLPP (0.54) CLPPCYP3A4
SCHEMBL749108 0.94 CLPP (0.50) CLPPCYP3A4
SCHEMBL746306 0.93 CLPP (0.48) CLPPCYP3A4
SCHEMBL748308 0.93 CLPP (0.49) CLPPCYP3A4
SCHEMBL746823 0.92 CLPP (0.49) CLPPCYP3A4
SCHEMBL748715 0.92 CLPP (0.47) CLPPCYP3A4
SCHEMBL746603 0.92 CLPP (0.47) CLPPCYP3A4
SCHEMBL748505 0.91 CLPP (0.48) CLPPCYP3A4
SCHEMBL749465 0.91 CLPP (0.48) CLPPCYP3A4

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-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed