SCHEMBL4765386

SCHEMBL4765386

Cc1c(C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)nnn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
MET P08581 2/20 0.44
ALPI P09923 1/20 0.44
SMURF1 Q9HCE7 2/20 0.43
NR1I2 O75469 2/20 0.43
ALOX12 P18054 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL4764992 0.96 TP53 (0.51) TP53ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL4771101 0.88 HRH3 (0.44) TP53GAASMN1; SMN2HTTHRH3
Trifluoroacetic Acid SCHEMBL4772218 0.85 SLC2A1 (0.42) TP53GAASMN1; SMN2HTTHRH3
SCHEMBL4773051 0.84 MAPT (0.56) TP53ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4774462 0.83 RAB9A (0.59) SMN1; SMN2KMT2AMEN1NPC1NFKB1
SCHEMBL4765254 0.83 AXL (0.43) TP53L3MBTL1GAASMN1; SMN2HTT
SCHEMBL4777120 0.82 NPY5R (0.54) TP53SMN1; SMN2MAPTHRH3MET
SCHEMBL4768161 0.82 POLB (0.56) TP53ALDH1A1LMNAKDM4EGAA
SCHEMBL4768299 0.82 KMT2A (0.59) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL4765564 0.82 HRH3 (0.46) TP53KDM4EGAASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed