SCHEMBL4767410

SCHEMBL4767410

COc1ccc(C=CC(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 4/20 0.55
TP53 P04637 4/20 0.53
TRPV1 Q8NER1 3/20 0.53
MMP1 P03956 3/20 0.52
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
THRB P10828 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
NFKB1 P19838 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL4767400 1.00 MAPT (0.57) MAPTSMN1; SMN2LMNAALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL4765269 0.94 MAPT (0.51) MAPTSMN1; SMN2LMNAALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL4766896 0.94 MAPT (0.51) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL4766039 0.90 MAPT (0.55) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL4766052 0.90 MAPT (0.55) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL4774745 0.87 TRPV1 (0.53) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL4774758 0.87 TRPV1 (0.53) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL4773020 0.87 TRPV1 (0.53) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL4773031 0.87 TRPV1 (0.53) MAPTSMN1; SMN2LMNAALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL4771953 0.84 MAPT (0.49) MAPTSMN1; SMN2LMNAALDH1A1MEN1

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