SCHEMBL4774483

SCHEMBL4774483

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
APP P05067 1/20 0.51
CHRNA7 P36544 4/20 0.47
HTR3A P46098 3/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
NFKB1 P19838 5/20 0.47
NFKB2 Q00653 5/20 0.47
RELA Q04206 5/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47

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 SCHEMBL4768713 0.94 SLC2A1 (0.49) SLC2A1APPCHRNA7HTR3AHTR3E
SCHEMBL4774628 0.80 TMPRSS2 (0.61) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4768583 0.79 TMPRSS2 (0.62) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4768475 0.79 MEN1 (0.49) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4770901 0.78 HRH3 (0.56) CHRNA7NPC1RAB9ANFKB1NFKB2
SCHEMBL4794145 0.78 MAPT (0.53) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4768190 0.77 NPC1 (0.67) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4771567 0.77 ROCK2 (0.46) CHRNA7NPC1RAB9ANFKB1NFKB2
SCHEMBL4775002 0.77 RAB9A (0.53) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5823896 0.77 HRH3 (0.54) NPC1RAB9ALMNAMAPTSMN1; 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 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