SCHEMBL18110511

SCHEMBL18110511

CCCCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 10/20 0.64
▸ GLP1R P43220 8/20 0.51
▸ EPHX2 P34913 1/20 0.50

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
SCHEMBL31276572 0.87 NOD1 (0.66) NOD1GLP1REPHX2
SCHEMBL31276477 0.87 NOD1 (0.66) NOD1GLP1REPHX2
SCHEMBL5971031 0.87 DPP4 (0.50) NOD1
SCHEMBL5970256 0.87 DPP4 (0.50) NOD1
SCHEMBL24968497 0.87 FOLH1 (0.55) NOD1EPHX2
SCHEMBL31744954 0.87 FOLH1 (0.55) NOD1EPHX2
SCHEMBL5674457 0.87 FOLH1 (0.55) NOD1EPHX2
SCHEMBL20146969 0.85 NOD1 (0.71) NOD1GLP1R
SCHEMBL20146947 0.85 NOD1 (0.71) NOD1GLP1R
SCHEMBL16638268 0.85 NOD1 (0.71) NOD1GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054590-A1 PROTOXIN-II VARIANTS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. 2022-02-24 — — US disclosed
US-11083776-B2 Protoxin-II variants and methods of use JANSSEN BIOTECH, INC. (US) 2021-08-10 — — US disclosed
US-20200054712-A1 PROTOXIN-II VARIANTS AND METHODS OF USE JANSSEN BIOTECH, INC. 2020-02-20 — — US disclosed
US-10463714-B2 Protoxin-II variants and methods of use JANSSEN BIOTECH, INC. (US) 2019-11-05 — — US disclosed
US-20160287666-A1 PROTOXIN-II VARIANTS AND METHODS OF USE JANSSEN BIOTECH, INC. 2016-10-06 — — US disclosed
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