SCHEMBL6987679

SCHEMBL6987679

COc1ccc(C(=O)c2cccc(NCC(=O)NCC3CCNCC3)c2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.41
KDM1A O60341 1/20 0.39
EP300 Q09472 1/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.35
ACHE P22303 1/20 0.35
CXCR3 P49682 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
SCHEMBL6987035 0.87 ROCK2 (0.40) HTR4KMT2ASMN1; SMN2NPC1LMNA
SCHEMBL6989025 0.87 HTR4 (0.43) HTR4KDM1AEP300KMT2ASMN1; SMN2
SCHEMBL6985733 0.87 HTR4 (0.43) HTR4KDM1AEP300KMT2ASMN1; SMN2
SCHEMBL6990414 0.87 HTR4 (0.43) HTR4KDM1AEP300KMT2ASMN1; SMN2
SCHEMBL6986612 0.86 HTR4 (0.43) HTR4KDM1AEP300KMT2ASMN1; SMN2
SCHEMBL6985413 0.86 HTR4 (0.43) HTR4KDM1AEP300KMT2ASMN1; SMN2
SCHEMBL6983529 0.84 HTR4 (0.42) HTR4KDM1AEP300KMT2ASMN1; SMN2
SCHEMBL6987917 0.84 HTR4 (0.42) HTR4KDM1AEP300KMT2ASMN1; SMN2
SCHEMBL6990268 0.83 HTR4 (0.41) HTR4KDM1AEP300KMT2ASMN1; SMN2
SCHEMBL6989855 0.81 BRD4 (0.47) HTR4KDM1AEP300KMT2ASMN1; SMN2

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