SCHEMBL9787708

SCHEMBL9787708

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 12/20 0.50
▸ ERAP2 Q6P179 12/20 0.50
▸ CCKBR P32239 3/20 0.49
▸ NMBR P28336 2/20 0.49
▸ TACR1 P25103 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ ERAP1 Q9NZ08 4/20 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
SCHEMBL9787758 0.88 IL1RN (0.52) IL1RNERAP2CCKBRCTSLCTSS
SCHEMBL9787680 0.83 CCKBR (0.50) IL1RNERAP2CCKBRNMBRTACR1
SCHEMBL30052459 0.80 ECE1 (0.61) IL1RNERAP2ERAP1
SCHEMBL1237981 0.79 IL1RN (0.67) IL1RNERAP2NMBRTACR1ERAP1
SCHEMBL9787697 0.78 CCKBR (0.65) CCKBRNMBRTACR1CTSLCTSS
SCHEMBL9331123 0.78 MAPT (0.55) TACR1CTSLCTSSCTSK
SCHEMBL11664273 0.78 IL1RN (0.67) IL1RNERAP2ERAP1
SCHEMBL29350923 0.78 IL1RN (0.67) IL1RNERAP2ERAP1
Hydrochloric Acid SCHEMBL8613789 0.78 NMBR (0.65) IL1RNERAP2NMBRTACR1ERAP1
SCHEMBL9787720 0.78 CCKBR (0.71) 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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