SCHEMBL6161206

SCHEMBL6161206

CC(=O)N1CCN(C(=O)C(N)Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.66
AKT1 P31749 3/20 0.57
PLAU P00749 1/20 0.57
PLAUR Q03405 1/20 0.57
OPRD1 P41143 1/20 0.57
AKT2 P31751 1/20 0.57
AKT3 Q9Y243 1/20 0.57
HSD17B10 Q99714 1/20 0.56
CHRM1 P11229 2/20 0.55
DPP4 P27487 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC7A5 Q01650 1/20 0.54
OPRK1 P41145 1/20 0.53
ROCK2 O75116 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL27154397 0.89 HSD17B10 (0.71) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL11226904 0.89 HSD17B10 (0.71) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL7214004 0.89 HSD17B10 (0.71) HDAC8AKT1PLAUPLAUROPRD1
Hydrochloric Acid SCHEMBL6898277 0.88 HDAC8 (0.69) HDAC8AKT1PLAUPLAUROPRD1
Hydrochloric Acid SCHEMBL27547045 0.88 HDAC8 (0.69) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL1619160 0.87 HDAC8 (0.69) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL1040335 0.87 HDAC8 (0.69) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL368452 0.87 HDAC8 (0.69) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL1039399 0.86 HDAC8 (0.68) HDAC8AKT1PLAUPLAUROPRD1
Bromide SCHEMBL8750830 0.86 HDAC8 (0.68) HDAC8AKT1PLAUPLAUROPRD1

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 6 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
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed