SCHEMBL6163353

SCHEMBL6163353

N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.67
DPP4 P27487 4/20 0.53
AKT1 P31749 3/20 0.53
PLAU P00749 1/20 0.53
PLAUR Q03405 1/20 0.53
OPRD1 P41143 1/20 0.53
AKT2 P31751 1/20 0.53
AKT3 Q9Y243 1/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
FAP Q12884 1/20 0.50
ROCK2 O75116 1/20 0.49
CYP3A4 P08684 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6163400 1.00 HDAC8 (0.67) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL6163689 0.91 HDAC8 (0.71) HDAC8DPP4AKT1PLAUPLAUR
Hydrochloric Acid SCHEMBL6166271 0.90 HDAC8 (0.74) HDAC8DPP4AKT1PLAUPLAUR
Hydrochloric Acid SCHEMBL6166277 0.90 HDAC8 (0.74) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL8220174 0.87 HDAC8 (0.65) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL368452 0.86 HDAC8 (0.69) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL1619160 0.86 HDAC8 (0.69) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL1040335 0.86 HDAC8 (0.69) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL6164561 0.84 HDAC8 (0.77) HDAC8DPP4AKT1PLAUPLAUR
Bromide SCHEMBL8750830 0.84 HDAC8 (0.68) HDAC8DPP4AKT1PLAUPLAUR

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