SCHEMBL7410507

SCHEMBL7410507

N[C@@H](Cc1ccc(C(=O)C2CNCCO2)cc1)C(=O)N[C@@H](CCS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 8/20 0.36
GHSR Q92847 1/20 0.35
SSTR4 P31391 1/20 0.34
SOAT1 P35610 1/20 0.33
SLC6A2 P23975 1/20 0.32
KCNH2 Q12809 1/20 0.32
MC4R P32245 1/20 0.32
MC3R P41968 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL7414221 0.81 CA2 (0.38) CTSCGHSRSSTR4
SCHEMBL8696045 0.81 CA2 (0.38) CTSCGHSRSSTR4
SCHEMBL8159878 0.80 CTSC (0.36) CTSCGHSRSSTR4
SCHEMBL7360670 0.79 CTSB (0.47) CTSC
SCHEMBL7349455 0.79 CTSB (0.56) CTSC
SCHEMBL7355598 0.79 CTSB (0.56) CTSC
SCHEMBL7352274 0.78 CTSB (0.47) CTSC
SCHEMBL7357995 0.78 CTSB (0.40) CTSCGHSRSSTR4
SCHEMBL7354313 0.78 CTSB (0.51) CTSC
SCHEMBL7410501 0.77 ACACB (0.46)

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