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SCHEMBL9293165

SCHEMBL9293165

CC(C)CC(NC(=O)C(CS)NC(=O)CN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)N1CCC[C@H]1C(=O)NC(CS)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 6/20 0.51
▸ NMUR1 Q9HB89 6/20 0.51
▸ CXCR4 P61073 7/20 0.50
▸ RAMP3 O60896 5/20 0.49
▸ CALCR P30988 5/20 0.49
▸ KEAP1 Q14145 2/20 0.48

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
SCHEMBL31633429 0.93 RAMP3 (0.53) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL2317887 0.91 CXCR4 (0.48) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL28923776 0.91 CXCR4 (0.48) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL2317896 0.91 CXCR4 (0.48) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL9293413 0.91 CXCR4 (0.48) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL9726940 0.89 CXCR4 (0.50) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL9726947 0.89 CXCR4 (0.50) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL9293866 0.89 NMUR2 (0.50) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL29495157 0.89 CXCR4 (0.51) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL29886085 0.87 EPHA2 (0.49) NMUR2NMUR1CXCR4RAMP3CALCR

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-0538399-A4 — — 1994-05-04 — — EP claimed
EP-0538399-A4 — — 1994-05-04 — — EP disclosed
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