SCHEMBL6987917

SCHEMBL6987917

COc1ccc(C(=O)c2cccc(NCC(=O)NCC3CCNCC3)c2SC)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.42
EP300 Q09472 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 1/20 0.36
ACHE P22303 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 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
SCHEMBL6990414 0.88 HTR4 (0.43) HTR4EP300KMT2AMEN1NPC1
SCHEMBL6989025 0.88 HTR4 (0.43) HTR4EP300KMT2AMEN1NPC1
SCHEMBL6985733 0.88 HTR4 (0.43) HTR4EP300KMT2AMEN1NPC1
SCHEMBL6986612 0.87 HTR4 (0.43) HTR4EP300KMT2AMEN1NPC1
SCHEMBL6985413 0.87 HTR4 (0.43) HTR4EP300KMT2AMEN1NPC1
SCHEMBL6986160 0.86 ROCK2 (0.41) HTR4KMT2AMEN1NPC1ALDH1A1
SCHEMBL6983529 0.86 HTR4 (0.42) HTR4EP300KMT2AMEN1NPC1
SCHEMBL6990268 0.85 HTR4 (0.41) HTR4EP300KMT2AMEN1NPC1
SCHEMBL6987679 0.84 HTR4 (0.41) HTR4EP300KMT2AMEN1NPC1
SCHEMBL6989855 0.82 BRD4 (0.47) HTR4EP300KMT2AMEN1NPC1

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-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed