SCHEMBL14038985

SCHEMBL14038985

CCCCC(CC)CN1CC2N(C(=O)CN(C)N2C(=O)NCc2ccccc2)[C@@H](CCC(=O)O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.39
CLPP Q16740 4/20 0.39

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
SCHEMBL744916 1.00 CYP3A4 (0.39) CYP3A4CLPP
SCHEMBL744902 0.94 CLPP (0.40) CYP3A4CLPP
SCHEMBL744915 0.94 CLPP (0.40) CYP3A4CLPP
SCHEMBL749416 0.93 CYP3A4 (0.36) CYP3A4CLPP
SCHEMBL10224838 0.92 CYP3A4 (0.39) CYP3A4CLPP
SCHEMBL748943 0.91 CLPP (0.45) CYP3A4CLPP
SCHEMBL746015 0.91 CLPP (0.49) CYP3A4CLPP
SCHEMBL747807 0.90 CLPP (0.49) CYP3A4CLPP
SCHEMBL748494 0.90 CLPP (0.42) CYP3A4CLPP
SCHEMBL746784 0.88 CYP3A4 (0.40) CYP3A4

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-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 US disclosed
US-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 US disclosed