SCHEMBL11221471

SCHEMBL11221471

CCCCCCNC(=O)CC[C@H](N)C(=O)OC(N)CCCCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.51
NAAA Q02083 1/20 0.49
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
RRM1 P23921 1/20 0.47
DPP7 Q9UHL4 2/20 0.47
NOD1 Q9Y239 4/20 0.46
FAAH O00519 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SLC6A5 Q9Y345 2/20 0.43
S1PR2 O95136 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 1/20 0.42
DNM1 Q05193 1/20 0.41

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
SCHEMBL9517303 0.84 NOD1 (0.55) NOD1
SCHEMBL2150970 0.82 CASP2 (0.53) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL11270516 0.82 CASP2 (0.53) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL17761085 0.81 NOD1 (0.56) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL9844039 0.80 FAAH (0.49) CASP2NAAANOD1FAAHL3MBTL1
SCHEMBL11211245 0.80 CASP2 (0.61) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL31619668 0.80 DPP7 (0.73) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL6698108 0.80 NOD1 (0.66) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL7349053 0.80 CASP2 (0.61) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL31619646 0.80 DPP7 (0.73) CASP2NAAAGNAI3GNAO1GNAI1

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
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP disclosed