SCHEMBL7359188

SCHEMBL7359188

N[C@@H](Cc1ccc(C(=O)C2CNCCO2)cc1)C(=O)NC(C=CC(=O)O)CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
CTSL P07711 6/20 0.39
ANPEP P15144 1/20 0.39
DPP4 P27487 2/20 0.38
DPP9 Q86TI2 2/20 0.38
FOLH1 Q04609 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CPB1 P15086 1/20 0.37
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL8492551 0.91 CTSL (0.47) DPP8DPP7CTSLANPEPCA1
SCHEMBL7400050 0.87 CPB1 (0.38) CTSLFOLH1CA1CA2CPB1
SCHEMBL7351506 0.87 DPP8 (0.39) DPP8DPP7CTSLANPEPDPP4
SCHEMBL7350474 0.85 CTSL (0.44) CTSL
Bromide SCHEMBL7354491 0.85 LNPEP (0.36) CTSL
SCHEMBL7359178 0.81 DPP8 (0.46) DPP8DPP7CTSLANPEPDPP4
SCHEMBL7354041 0.80 CTSL (0.43) CTSL
SCHEMBL7349658 0.80 CTSB (0.42) CTSLCA2
SCHEMBL8516594 0.79 CTSL (0.41) CTSL
SCHEMBL7353064 0.79 CA1 (0.39) DPP8DPP7ANPEPDPP4DPP9

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