SCHEMBL798246

SCHEMBL798246

NC1CN(C(=O)c2ccc(Cl)cc2)CC(N)N1c1ncccn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 10/20 0.58
SLC6A3 Q01959 2/20 0.47
HSP90AB1 P08238 1/20 0.45
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
MGLL Q99685 1/20 0.43
POLB P06746 1/20 0.42
PHGDH O43175 1/20 0.42

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
SCHEMBL3580140 0.76 SLC6A7 (0.80) SLC6A7SLC6A3
SCHEMBL13149359 0.74 SLC6A7 (0.92) SLC6A7SLC6A3HSD17B10L3MBTL1
SCHEMBL4635518 0.73 HSD17B10 (0.52) HSD17B10GLAMAPTMGLLPOLB
SCHEMBL3583123 0.71 SLC6A7 (1.00) SLC6A7SLC6A3HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL4557356 0.71 SLC6A7 (0.62) SLC6A7SLC6A3HSP90AB1HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL4557354 0.71 SLC6A7 (0.62) SLC6A7SLC6A3HSP90AB1HSD17B10L3MBTL1
SCHEMBL30937177 0.71 HSD17B10 (0.56) HSD17B10GLAMAPTMGLLPOLB
SCHEMBL3575529 0.69 SLC6A7 (1.00) SLC6A7SLC6A3
SCHEMBL1258349 0.69 SLC6A7 (0.63) SLC6A7SLC6A3HSD17B10L3MBTL1
SCHEMBL6371742 0.69 SLC6A7 (0.63) SLC6A7SLC6A3HSD17B10L3MBTL1

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-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed