SCHEMBL24155481

SCHEMBL24155481

CC(C)CC1NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)c2ccccn2)CSSCC(C=O)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNFSF11 O14788 1/20 0.37
▸ TFPI P10646 4/20 0.37
▸ SSTR1 P30872 2/20 0.37
▸ SSTR2 P30874 2/20 0.37
▸ SSTR4 P31391 2/20 0.37
▸ SSTR3 P32745 2/20 0.37
▸ SSTR5 P35346 2/20 0.37
▸ CXCR4 P61073 3/20 0.37
▸ TSLP Q969D9 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ F12 P00748 2/20 0.35
▸ ACE P12821 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ F11 P03951 2/20 0.35
▸ CACNA1B Q00975 1/20 0.35

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
SCHEMBL24155284 0.93 TNFSF11 (0.38) TNFSF11TFPISSTR1SSTR2SSTR4
SCHEMBL24155488 0.93 CXCR4 (0.40) TNFSF11TFPISSTR1SSTR2SSTR4
SCHEMBL25758456 0.80 ESR1 (0.51) ESR1
SCHEMBL24155857 0.80 VDR (0.45) TNFSF11SSTR1SSTR2SSTR4SSTR3
SCHEMBL19545700 0.62 KDM1A (0.69) SSTR2SSTR4SSTR3SSTR5KLK7
SCHEMBL13955093 0.61 ITGB3 (0.46) TSLPPLAU
SCHEMBL18767060 0.59 TNFSF11 (0.48) TNFSF11SSTR1SSTR2SSTR4SSTR3
SCHEMBL25758366 0.59 NPY4R (0.37) TFPI
SCHEMBL25758263 0.59 TFPI (0.40) TFPI
SCHEMBL14003237 0.59 TUBB4A (0.58) TSLPF12KLK7

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
WO-2021263069-A1 CYCLIC PEPTIDE COMPOUNDS AND METHODS OF USE LI FENGQIAO (US) 2021-12-30 — — WO disclosed
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