SCHEMBL6164462

SCHEMBL6164462

N#CCCCCCNC(=O)C(N)Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.56
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47

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
SCHEMBL6020765 0.90 CTSC (0.59) CTSCCTSSCTSKALPIPKM
SCHEMBL16559587 0.90 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18375234 0.89 ALPI (0.59) CTSCALPIPKMPTGS1XIAP
SCHEMBL11254327 0.89 ALPI (0.59) CTSCALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL2927527 0.87 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9113781 0.85 ALPI (0.59) CTSCALPIPKMPTGS1XIAP
SCHEMBL24572013 0.85 MMP2 (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17941646 0.83 NAAA (0.59)
SCHEMBL8914559 0.83 NAAA (0.59)
SCHEMBL8914221 0.83 NAAA (0.59)

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