SCHEMBL6161261

SCHEMBL6161261

NC(=O)C1SCCN1C(=O)[CH]Cc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.44
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRA1D P25100 1/20 0.37
RECQL P46063 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
IDO1 P14902 2/20 0.36
KMT2A Q03164 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL6163040 0.86 RIPK1 (0.36) CFDALDH1A1LMNA
SCHEMBL6162964 0.84 DPP7 (0.43) CFDADRA1D
SCHEMBL6167323 0.79 LMNA (0.44) CFDKDM4EKMT2AGRM2MEN1
SCHEMBL6164036 0.76 MMP1 (0.42) CFDHTR3EHTR3BHTR3AHTR3D
SCHEMBL6162718 0.74 CFD (0.40) CFDSIGMAR1ALDH1A1
SCHEMBL6350305 0.68 ACE (0.37) CFDHDAC8
SCHEMBL3137610 0.67 CNR2 (0.39) SIGMAR1
SCHEMBL2634914 0.65 HCRTR1 (0.55)
SCHEMBL29584992 0.63 ALDH1A1 (0.59) KDM4EHDAC8KMT2ASIGMAR1MEN1
SCHEMBL3138570 0.62 SPHK1 (0.50) HTR1AHTR7

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