SCHEMBL6606793

SCHEMBL6606793

CC1CCN(C(=O)[C@H](CCCc2ccc(N)cn2)NC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.45
F10 P00742 1/20 0.45
CCR10 P46092 7/20 0.41
CCKBR P32239 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CACNA1B Q00975 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
UBE2N P61088 1/20 0.36

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
SCHEMBL27483973 0.86 F2 (0.40) F2F10CCR10GAAALDH1A1
SCHEMBL6605447 0.84 F2 (0.39) F2F10CCR10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6543323 0.83 F2 (0.41) F2F10CCR10ALDH1A1MEN1
SCHEMBL6543950 0.83 F2 (0.60) F2F10CCKBR
SCHEMBL6543946 0.83 F2 (0.60) F2F10CCKBR
SCHEMBL7170590 0.83 F2 (0.39) F2F10CCR10GAAALDH1A1
SCHEMBL6543188 0.79 F2 (0.39) F2F10CCR10ALDH1A1MEN1
SCHEMBL15936083 0.77 ALDH1A1 (0.48) F2CCR10GAAALDH1A1KDM4E
SCHEMBL6543472 0.76 F2 (0.80) F2F10CCR10
Hydrochloric Acid SCHEMBL6544017 0.76 F2 (0.80) F2F10CCR10

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-1268469-B1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed