SCHEMBL6186848

SCHEMBL6186848

Cc1[nH]c2ccc(NC(=O)C3CCCCC3)cc2c1C(=O)c1c(F)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
NPSR1 Q6W5P4 1/20 0.45
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ITK Q08881 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GRM4 Q14833 1/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 1/20 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
SCHEMBL6188627 0.99 MAOB (0.47) MAOBMAOANPSR1STK17BSTK17A
SCHEMBL6187153 0.97 MAOB (0.45) MAOBMAOANPSR1STK17BSTK17A
SCHEMBL6187433 0.95 MAOB (0.43) MAOBMAOASTK17BSTK17ASMN1; SMN2
SCHEMBL6189592 0.93 MAOA (0.51) MAOBMAOANPSR1STK17BSTK17A
SCHEMBL6185134 0.93 MAOA (0.54) MAOBMAOANPSR1STK17BSTK17A
SCHEMBL6189884 0.91 MAOA (0.48) MAOBMAOANPSR1STK17BSTK17A
SCHEMBL6186285 0.90 MAOA (0.49) MAOBMAOANPSR1STK17BSTK17A
SCHEMBL6184788 0.89 MAOA (0.45) MAOBMAOANPSR1STK17BSTK17A
SCHEMBL6186131 0.88 MAOA (0.47) MAOBMAOANPSR1STK17BSTK17A
SCHEMBL6189327 0.88 HPGD (0.46) MAOBMAOANPSR1STK17BSTK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554271-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2005-07-20 EP disclosed
WO-2004035571-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2004-04-29 WO disclosed