SCHEMBL2483705

SCHEMBL2483705

CC(C)(C)N(C(=O)O)[C@H]1CCN(Cc2cscn2)C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
KCNH2 Q12809 6/20 0.36
OPRD1 P41143 6/20 0.36
OPRM1 P35372 3/20 0.36
SCN9A Q15858 9/20 0.35
KDM1A O60341 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
SCN5A Q14524 6/20 0.34

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
SCHEMBL2483704 1.00 FNTA (0.40) FNTAFNTBSCN8AKCNH2OPRD1
SCHEMBL2180125 0.78 BCHE (0.48) OPRM1
SCHEMBL15012084 0.78 BCHE (0.48) OPRM1
SCHEMBL15012085 0.78 BCHE (0.48) OPRM1
SCHEMBL15012081 0.78 BCHE (0.48) OPRM1
SCHEMBL15012080 0.78 BCHE (0.48) OPRM1
SCHEMBL2779242 0.74 FNTA (0.41) FNTAFNTBSCN8AKCNH2OPRD1
SCHEMBL2779240 0.74 FNTA (0.41) FNTAFNTBSCN8AKCNH2OPRD1
SCHEMBL1955506 0.73 JAK2 (0.40) FNTAFNTBSCN8AKCNH2SCN9A
SCHEMBL27851523 0.68 KCNH2 (0.38) FNTAFNTBSCN8AKCNH2OPRD1

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-9303025-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-04-05 US disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed