SCHEMBL22134346

SCHEMBL22134346

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NC(CCCNC(N)=O)C(=O)NC(CCCCN)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 5/20 0.41
▸ NMT2 O60551 4/20 0.41
▸ FURIN P09958 6/20 0.40
▸ PRSS1 P07477 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ TLR2 O60603 1/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ AKT3 Q9Y243 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ SSTR2 P30874 2/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36

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
SCHEMBL17860132 1.00 NMT1 (0.41) NMT1NMT2FURINPRSS1CTSL
SCHEMBL20287670 1.00 NMT1 (0.41) NMT1NMT2FURINPRSS1CTSL
SCHEMBL24993722 0.98 FURIN (0.42) NMT1NMT2FURINPRSS1CTSL
SCHEMBL21972921 0.90 NMT1 (0.40) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL17860164 0.89 HRH1 (0.39) NMT1NMT2FURINPRSS1CTSL
SCHEMBL22134316 0.89 HRH1 (0.39) NMT1NMT2FURINPRSS1CTSL
SCHEMBL20287648 0.89 HRH1 (0.39) NMT1NMT2FURINPRSS1CTSL
SCHEMBL17860183 0.88 NMT2 (0.40) NMT1NMT2FURINPRSS1CTSL
SCHEMBL20349812 0.87 NMT2 (0.39) NMT1NMT2FURINPRSS1CTSL
SCHEMBL19776913 0.87 NMT2 (0.39) NMT1NMT2FURINPRSS1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3086814-B1 DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) Bayer Pharma AG (DE) 2020-06-24 — — EP disclosed
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