SCHEMBL6164078

SCHEMBL6164078

NC(=O)c1ccccc1C[CH]C(=O)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.44
EPHX2 P34913 1/20 0.43
EPHX1 P07099 1/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 2/20 0.41

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
SCHEMBL6166503 0.99 TP53 (0.51) TP53NPC1ALDH1A1RAB9ALMNA
SCHEMBL2687705 0.77 EPHX2 (0.62) TP53NPC1ALDH1A1RAB9AHPGD
SCHEMBL5173570 0.77 NPC1 (0.54) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL9938288 0.76 KDM4E (0.54) TP53NPC1ALDH1A1RAB9ALMNA
SCHEMBL2985313 0.76 F2 (0.47) NPC1RAB9AHPGDKMT2AEPHX2
SCHEMBL3140453 0.75 HPGD (0.43) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6166102 0.75 NPC1 (0.52) NPC1KMT2AMEN1POLB
SCHEMBL14744513 0.74 EPHX2 (0.43) NPC1RAB9AHTTEPHX2
SCHEMBL18041117 0.74 ALDH1A1 (0.69) TP53NPC1ALDH1A1RAB9ALMNA
SCHEMBL630127 0.73 KDM4E (0.45) NPC1ALDH1A1RAB9ALMNAKDM4E

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