SCHEMBL1744181

SCHEMBL1744181

CCN(C#N)C(=N)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
EPHX2 P34913 10/20 0.40
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
EPHX1 P07099 1/20 0.34
HSD11B1 P28845 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL8921375 0.68 EPHX2 (0.44) L3MBTL1EPHX2HSD17B10EPHX1HSD11B1
SCHEMBL6154505 0.65 EPHX2 (0.58) L3MBTL1EPHX2HSD17B10EPHX1HSD11B1
SCHEMBL9115097 0.62 EPHX2 (0.54) L3MBTL1EPHX2HSD17B10EPHX1HSD11B1
SCHEMBL13702321 0.61 L3MBTL1 (0.72) L3MBTL1EPHX2NPSR1HSD17B10HSD11B1
SCHEMBL12968364 0.61 L3MBTL1 (0.72) L3MBTL1EPHX2NPSR1HSD17B10HSD11B1
SCHEMBL6154544 0.61 EPHX2 (0.41) L3MBTL1EPHX2HSD17B10HSD11B1
SCHEMBL11150613 0.60 L3MBTL1 (0.41) L3MBTL1EPHX2NPSR1USP2
Hydrochloric Acid SCHEMBL9115349 0.60 SIGMAR1 (0.55) L3MBTL1EPHX2HSD17B10EPHX1HSD11B1
SCHEMBL3353684 0.59
SCHEMBL944590 0.59 EPHX2 (0.41) L3MBTL1EPHX2HSD17B10EPHX1HSD11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386547-A1 Multicyclic amino acid derivatives and methods of their use Lexicon Pharmaceuticals, Inc. (US) 2011-11-16 EP disclosed
US-8039086-B2 Bonding material, process for producing the same, and honeycomb structure made with the same NGK INSULATORS, LTD. (JP) 2011-10-18 US disclosed
WO-2011100285-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2011-08-18 WO disclosed
WO-2011056916-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF CANCER LEXICON PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed