SCHEMBL6163356

SCHEMBL6163356

NC(Cc1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.64
MMP8 P22894 1/20 0.63
PIK3CD O00329 2/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
FKBP1A P62942 1/20 0.54
DPP4 P27487 2/20 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
MEN1 O00255 1/20 0.51

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
SCHEMBL6052947 1.00 HDAC8 (0.64) HDAC8MMP8PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL6350961 0.98 HDAC8 (0.65) HDAC8MMP8PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL8307855 0.98 HDAC8 (0.65) HDAC8MMP8PIK3CDPIK3CAPIK3CB
SCHEMBL1040335 0.86 HDAC8 (0.69) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL368452 0.86 HDAC8 (0.69) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL1619160 0.86 HDAC8 (0.69) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL6268215 0.85 AKT1 (0.51) HDAC8MMP8PIK3CDPIK3CAPIK3CB
SCHEMBL4706920 0.85 DPP4 (0.60) MMP8FKBP1ADPP4AKT1AKT2
Bromide SCHEMBL8750830 0.84 HDAC8 (0.68) HDAC8DPP4AKT1PLAUPLAUR
SCHEMBL8077871 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