SCHEMBL9068982

SCHEMBL9068982

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.58
▸ KISS1R Q969F8 4/20 0.57
▸ EDNRA P25101 1/20 0.55
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ IL23R Q5VWK5 1/20 0.51
▸ CXCL8 P10145 5/20 0.50
▸ CCKBR P32239 3/20 0.50
▸ F13A1 P00488 1/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ CASP4 P49662 1/20 0.50
▸ CASP5 P51878 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ CASP10 Q92851 1/20 0.50
▸ F2 P00734 1/20 0.49

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
SCHEMBL7402772 0.98 MAGI3 (0.60) MAGI3KISS1REDNRACAPN1CTSB
SCHEMBL7396077 0.97 MAGI3 (0.60) MAGI3KISS1REDNRAIL23RCXCL8
SCHEMBL7399755 0.93 MAGI3 (0.55) MAGI3KISS1RCAPN1CTSBF13A1
SCHEMBL7402771 0.93 KISS1R (0.57) MAGI3KISS1REDNRACAPN1CTSB
SCHEMBL7396073 0.93 KISS1R (0.58) MAGI3KISS1RCAPN1CTSBIL23R
SCHEMBL7402113 0.92 MAGI3 (0.56) MAGI3KISS1RCAPN1CTSBF13A1
SCHEMBL30262151 0.85 KISS1R (0.59) MAGI3KISS1RCXCL8
SCHEMBL7400882 0.85 EDNRA (0.71) MAGI3KISS1REDNRAIL23RCCKBR
SCHEMBL30310882 0.85 CCKBR (0.61) CXCL8CCKBR
SCHEMBL38664590 0.83 NPY1R (0.57) MAGI3KISS1RIL23RCCKBR

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
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 — — US claimed
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