SCHEMBL9787680

SCHEMBL9787680

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 3/20 0.50
▸ NMBR P28336 3/20 0.47
▸ ERAP2 Q6P179 9/20 0.47
▸ IL1RN P18510 9/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ MMP1 P03956 2/20 0.46
▸ TACR1 P25103 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45

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
SCHEMBL9787708 0.83 IL1RN (0.50) CCKBRNMBRERAP2IL1RNCTSL
SCHEMBL1237981 0.78 IL1RN (0.67) NMBRERAP2IL1RNMMP1TACR1
SCHEMBL9787707 0.77 CCKBR (0.63) CCKBRNMBRCTSLCTSSCTSK
SCHEMBL9787669 0.77 CCKBR (0.63) CCKBRNMBRCTSLCTSSCTSK
Hydrochloric Acid SCHEMBL8613789 0.77 NMBR (0.65) NMBRERAP2IL1RNTACR1ERAP1
SCHEMBL9787720 0.77 CCKBR (0.71) CCKBRNMBRCTSLCTSSCTSK
SCHEMBL9787716 0.77 CCKBR (0.71) CCKBRNMBRCTSLCTSSCTSK
SCHEMBL9787758 0.77 IL1RN (0.52) CCKBRERAP2IL1RNCTSLCTSS
SCHEMBL30052459 0.77 ECE1 (0.61) ERAP2IL1RNMMP1ERAP1
SCHEMBL9787697 0.76 CCKBR (0.65) CCKBRNMBRCTSLCTSSCTSK

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-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 — — US disclosed
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