SCHEMBL7375810

SCHEMBL7375810

NCCCCC(N)C(=O)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.43
ALDH1A1 P00352 1/20 0.42
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
DPP7 Q9UHL4 4/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
PLA2G4A P47712 2/20 0.37
CES1 P23141 1/20 0.36
DPP4 P27487 1/20 0.35
CTSK P43235 1/20 0.35
MMP2 P08253 1/20 0.35
F10 P00742 1/20 0.34
LTA4H P09960 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL7377556 0.95 ALDH1A1 (0.43) GSRALDH1A1F2PRSS1DPP7
SCHEMBL7950828 0.85 ALDH1A1 (0.42) ALDH1A1F2PLA2G4ACES1CTSK
Lysine SCHEMBL358312 0.84 GSR (0.56) GSRALDH1A1PLA2G4ACES1
Lysine SCHEMBL1983160 0.84 GSR (0.56) GSRALDH1A1PLA2G4ACES1
SCHEMBL358313 0.82 GSR (0.38) GSRALDH1A1F2PRSS1DPP7
SCHEMBL8800894 0.81 ALDH1A1 (0.44) ALDH1A1F2DPP8DPP9PLA2G4A
SCHEMBL7378372 0.81 ALDH1A1 (0.42) ALDH1A1PLA2G4ACES1CTSK
Hydrochloric Acid SCHEMBL28172161 0.81 PLA2G4A (0.40) ALDH1A1F2PLA2G4ACES1CTSK
SCHEMBL19630898 0.79 F2 (0.48) ALDH1A1F2PRSS1CTSKF10
SCHEMBL27699627 0.76 ALDH1A1 (0.50) ALDH1A1PLA2G4ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291678-B1 CAN BE INCORPORATED IN INHIBITORS OF SERINE PROTEASES WHICH ARE USED IN THERAPY OF ABNORMAL COAGULATION; THERAPY OR PROPHYLAXIS OF SEPTIC SHOCK, ATHEROSCLEROSIS, ALZHEIMER'S AND PARKINSON'S DISEASE WARNER-LAMBERT COMPANY 2001-09-18 US disclosed
US-6057314-A ANTICOAGULANTS BIOCHEM PHARMA INC. (CA) 2000-05-02 US disclosed
EP-0906296-A1 PROCESS FOR THE PREPARATION OF CHIRAL KETO-HETEROCYCLES OF BASIC AMINO ACIDS WARNER-LAMBERT COMPANY LLC (US) 1999-04-07 EP disclosed
WO-1997048687-A1 PROCESS FOR THE PREPARATION OF CHIRAL KETO-HETEROCYCLES OF BASIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 1997-12-24 WO disclosed
WO-1996019483-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC. (CA) 1996-06-27 WO disclosed