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Sugi Predict / Compounds / SCHEMBL10159306

SCHEMBL10159306

SCHEMBL10159306

CNC(=O)N[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](C)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ EPHX1 P07099 2/20 0.46
▸ KDM5A P29375 3/20 0.44
▸ EPHX2 P34913 9/20 0.42
▸ KDM5C P41229 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL10155587 0.94 KDM5A (0.47) MAPK1EPHX1KDM5AEPHX2KDM5C
SCHEMBL10159314 0.84 KDM5A (0.49) EPHX1KDM5AEPHX2KDM5CKDM5B
SCHEMBL15448401 0.80 EPHX1 (0.67) MAPK1EPHX1EPHX2
SCHEMBL10156602 0.78 HTT (0.46) MAPK1EPHX1EPHX2HTTPOLB
SCHEMBL12859653 0.77 MAPK1 (0.66) MAPK1EPHX1HTTPOLB
SCHEMBL13853804 0.75 HTT (0.56) MAPK1KDM5BHTTPOLB
SCHEMBL13853823 0.75 HTT (0.56) MAPK1KDM5BHTTPOLB
SCHEMBL12522289 0.74 EPHX2 (0.71) EPHX1EPHX2
SCHEMBL14853467 0.74 KDM5A (0.46) EPHX1KDM5AEPHX2KDM5CKDM5B
SCHEMBL13853789 0.74 HTT (0.59) MAPK1KDM5BHTTPOLB

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
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 — — US disclosed