SCHEMBL7359178

SCHEMBL7359178

N[C@@H](Cc1ccc(C(=O)N2CCOCC2)cc1)C(=O)NC(C=CC(=O)O)CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.46
DPP7 Q9UHL4 3/20 0.46
TGM2 P21980 4/20 0.46
DPP9 Q86TI2 3/20 0.46
DPP4 P27487 2/20 0.46
CTSL P07711 2/20 0.44
LIPC P11150 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ANPEP P15144 1/20 0.41
CYP3A4 P08684 1/20 0.40
FOLH1 Q04609 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL7351499 0.86 DPP8 (0.45) DPP8DPP7TGM2DPP9DPP4
SCHEMBL7359167 0.84 CTSL (0.61) CTSL
SCHEMBL7359170 0.84 CTSL (0.61) CTSL
SCHEMBL7359183 0.84 CTSL (0.61) CTSL
Bromide SCHEMBL7354482 0.83 CTSL (0.45) CTSL
Bromide SCHEMBL7402182 0.83 CTSL (0.42) CTSL
SCHEMBL7359188 0.81 DPP8 (0.40) DPP8DPP7DPP9DPP4CTSL
SCHEMBL7400048 0.80 TGM2 (0.42) DPP8DPP7TGM2DPP9DPP4
SCHEMBL7400045 0.79 FOLH1 (0.43) DPP8DPP7TGM2DPP9DPP4
SCHEMBL7354030 0.79 CTSL (0.59) CTSL

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-6287840-B1 PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE AXYS PHARMACEUTICALS, INC. 2001-09-11 US disclosed
US-5976858-A (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES ARRIS PHARMACEUTICALS (US) 1999-11-02 US disclosed
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed