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SCHEMBL9854712

SCHEMBL9854712

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.52
▸ CCR1 P32246 1/20 0.52
▸ MMP1 P03956 2/20 0.51
▸ FCER2 P06734 1/20 0.51
▸ KISS1R Q969F8 1/20 0.51
▸ CASP1 P29466 3/20 0.50
▸ PTPN1 P18031 2/20 0.49
▸ PSMB5 P28074 2/20 0.49
▸ HPGDS O60760 1/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSL P07711 1/20 0.48
▸ CASP3 P42574 1/20 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
SCHEMBL18064466 0.87 CCR1 (0.58) RENCCR1CASP1PSMB5CTSK
SCHEMBL18064454 0.87 CCR1 (0.58) RENCCR1CASP1PSMB5CTSK
SCHEMBL16576475 0.87 CCR1 (0.58) RENCCR1CASP1PSMB5CTSK
SCHEMBL16576552 0.87 CCR1 (0.58) RENCCR1CASP1PSMB5CTSK
SCHEMBL9854731 0.84 FCER2 (0.52) RENMMP1FCER2KISS1RPTPN1
SCHEMBL9854697 0.83 BACE1 (0.58) RENMMP1FCER2KISS1RCASP1
SCHEMBL16576474 0.82 CCR1 (0.52) CCR1CASP1PSMB5CTSKCTSL
SCHEMBL16576580 0.82 CCR1 (0.52) CCR1CASP1PSMB5CTSKCTSL
SCHEMBL6267285 0.80 ERAP2 (0.51) RENCCR1MMP1KISS1RPTPN1
SCHEMBL6272641 0.80 ERAP2 (0.51) RENCCR1MMP1KISS1RPTPN1

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-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 — — EP disclosed