SCHEMBL4766039

SCHEMBL4766039

COc1cccc(/C=C/C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
MMP1 P03956 5/20 0.53
MMP2 P08253 5/20 0.53
MMP9 P14780 5/20 0.53
KDM4E B2RXH2 2/20 0.52
ACHE P22303 1/20 0.51
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
RECQL P46063 1/20 0.49
CASP3 P42574 1/20 0.49

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
SCHEMBL4766052 1.00 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4771953 0.94 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4768399 0.94 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4767400 0.90 MAPT (0.57) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4767410 0.90 MAPT (0.57) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4773031 0.86 TRPV1 (0.53) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4773020 0.86 TRPV1 (0.53) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4765707 0.86 IMPDH2 (0.57) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4765698 0.86 IMPDH2 (0.57) MAPTSMN1; SMN2MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4765269 0.84 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2ANPC1

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