SCHEMBL5243155

SCHEMBL5243155

CCCCCC(=O)N1CCN(C(=O)CCCCCN)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 9/20 0.72
GNAI1 P63096 9/20 0.72
L3MBTL1 Q9Y468 2/20 0.67
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
GNAO1 P09471 8/20 0.63
DNM1 Q05193 4/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48

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
SCHEMBL5244391 0.93 GNAI3 (0.62) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL25504367 0.91 GNAI3 (0.60) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL8972980 0.90 L3MBTL1 (0.80) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL8972813 0.90 L3MBTL1 (0.80) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL1045855 0.90 L3MBTL1 (0.80) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL768398 0.90 L3MBTL1 (0.80) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL4450061 0.90 L3MBTL1 (0.80) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL7060548 0.90 L3MBTL1 (0.80) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL8972823 0.90 L3MBTL1 (0.80) GNAI3GNAI1L3MBTL1MEN1KMT2A
SCHEMBL18203194 0.90 L3MBTL1 (0.80) GNAI3GNAI1L3MBTL1MEN1KMT2A

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
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 EP disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 WO disclosed