SCHEMBL4793643

SCHEMBL4793643

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cc(-c2ccco2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
POLB P06746 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HRH3 Q9Y5N1 7/20 0.42
RET P07949 1/20 0.41
PIP4K2A P48426 1/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HRH1 P35367 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 SCHEMBL4770979 0.94 MAPT (0.43) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL4765151 0.81 HRH3 (0.46) HRH3HRH1NPC1SMN1; SMN2
SCHEMBL4765636 0.77 HRH3 (0.48) MAPTHRH3HRH1HSD17B10NPC1
SCHEMBL4771966 0.76 NPC1 (0.40) MAPTPOLBLMNAHRH3RET
SCHEMBL5823896 0.76 HRH3 (0.54) MAPTLMNAKMT2AHRH3HRH1
SCHEMBL4770392 0.74 HRH3 (0.59) MAPTPOLBHRH3HRH1NPC1
SCHEMBL4765487 0.74 HRH3 (0.50) MAPTLMNAMEN1KMT2AHRH3
SCHEMBL4765404 0.74 THRB (0.48) MAPTPOLBLMNAHRH3HRH1
SCHEMBL4768220 0.73 HRH3 (0.49) MAPTLMNAHRH3HRH1NPC1
SCHEMBL4770985 0.73 MAP4K1 (0.57) NPC1

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