Sugi Predict

Sugi Predict / Compounds / SCHEMBL29595863

SCHEMBL29595863

SCHEMBL29595863

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.56
▸ APLNR P35414 1/20 0.53
▸ CALCR P30988 10/20 0.52
▸ RAMP3 O60896 7/20 0.52
▸ NPY2R P49146 6/20 0.51
▸ NPY4R P50391 6/20 0.51
▸ NPY5R Q15761 6/20 0.51
▸ NPY1R P25929 4/20 0.51

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
SCHEMBL30432102 0.90 RAMP3 (0.61) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31433259 0.88 CXCR4 (0.49) CXCR4APLNRCALCRRAMP3NPY2R
SCHEMBL29407943 0.86 APLNR (0.54) CXCR4APLNRCALCRRAMP3
SCHEMBL30150685 0.86 APLNR (0.53) CXCR4APLNRCALCRRAMP3
SCHEMBL30262207 0.86 NPY2R (0.57) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29407945 0.85 MAPK8 (0.56) CXCR4APLNRCALCRRAMP3
SCHEMBL31182981 0.85 NPY2R (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30150684 0.85 APLNR (0.53) CXCR4APLNRCALCRRAMP3
SCHEMBL30577516 0.85 APLNR (0.53) CXCR4APLNRCALCRRAMP3
SCHEMBL30884600 0.85 RAMP3 (0.59) CXCR4CALCRRAMP3NPY2RNPY4R

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
CN-114354558-A Ratio type fluorescent nano probe, preparation method and method for quantitatively detecting activity of matrix metalloproteinase-7 中国科学院长春应用化学研究所 2022-04-15 — — CN claimed
CN-114354558-A Ratio type fluorescent nano probe, preparation method and method for quantitatively detecting activity of matrix metalloproteinase-7 中国科学院长春应用化学研究所 2022-04-15 — — CN disclosed
Send feedback