SCHEMBL7379883

SCHEMBL7379883

N[C@@H](Cc1ccc(C(=O)C2CNCCO2)cc1)C(=O)N[C@H](CCCP(=O)(O)O)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.38
MC3R P41968 2/20 0.38
CTSC P53634 3/20 0.35
SSTR4 P31391 1/20 0.33
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 4/20 0.33
S1PR4 O95977 3/20 0.33
S1PR2 O95136 2/20 0.33
GHSR Q92847 1/20 0.33
ERAP1 Q9NZ08 5/20 0.33
ERAP2 Q6P179 4/20 0.33
LNPEP Q9UIQ6 3/20 0.33
IL1RN P18510 1/20 0.33
S1PR5 Q9H228 2/20 0.33
ANPEP P15144 2/20 0.32

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
Hydrochloric Acid SCHEMBL7405421 0.88 CTSC (0.37) MC4RMC3RCTSCSSTR4GHSR
SCHEMBL7411057 0.88 CTSC (0.37) MC4RMC3RCTSCSSTR4GHSR
SCHEMBL7360267 0.83 CTSL (0.40) CTSC
SCHEMBL7414221 0.80 CA2 (0.38) CTSCSSTR4GHSR
SCHEMBL7350474 0.80 CTSL (0.44) CTSC
SCHEMBL8696045 0.80 CA2 (0.38) CTSCSSTR4GHSR
SCHEMBL7354041 0.79 CTSL (0.43) CTSC
SCHEMBL8159878 0.79 CTSC (0.36) CTSCSSTR4GHSR
SCHEMBL7379877 0.78 ACACB (0.42) MC4RMC3R
SCHEMBL7375700 0.78 ERAP1 (0.33) CTSCSSTR4GHSRERAP1ERAP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed