SCHEMBL6160980

SCHEMBL6160980

N[C@@H](Cc1ccccc1)C(=O)N1CCSC1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.85
HDAC8 Q9BY41 3/20 0.61
DPP7 Q9UHL4 4/20 0.57
DPP8 Q6V1X1 1/20 0.57
DPP9 Q86TI2 1/20 0.57

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
SCHEMBL6160984 1.00 DPP4 (0.85) DPP4HDAC8DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL6162984 0.99 DPP4 (0.83) DPP4HDAC8DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL6162992 0.99 DPP4 (0.83) DPP4HDAC8DPP7DPP8DPP9
SCHEMBL3137617 0.91 DPP4 (0.71) DPP4HDAC8
SCHEMBL27851935 0.91 DPP4 (0.71) DPP4HDAC8
Hydrochloric Acid SCHEMBL6163310 0.90 DPP4 (0.70) DPP4HDAC8
Hydrochloric Acid SCHEMBL6163320 0.90 DPP4 (0.70) DPP4HDAC8
SCHEMBL14305531 0.86 DPP4 (0.72) DPP4DPP7DPP8DPP9
SCHEMBL13852680 0.85 DPP4 (0.64) DPP4DPP7DPP8DPP9
SCHEMBL6161265 0.84 DPP4 (0.67) DPP4HDAC8DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed