SCHEMBL4773020

SCHEMBL4773020

O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NFKB1 P19838 1/20 0.48
RECQL P46063 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 1/20 0.48
MMP1 P03956 9/20 0.48
MMP2 P08253 9/20 0.48
MMP9 P14780 9/20 0.48
EGFR P00533 7/20 0.48
MAOA P21397 4/20 0.48

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
SCHEMBL4773031 1.00 TRPV1 (0.53) TRPV1MAPTSMN1; SMN2MEN1NPC1
Trifluoroacetic Acid SCHEMBL4774472 0.94 TRPV1 (0.50) TRPV1MAPTSMN1; SMN2MEN1NPC1
Trifluoroacetic Acid SCHEMBL4774480 0.94 TRPV1 (0.50) TRPV1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4774745 0.89 TRPV1 (0.53) TRPV1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4774758 0.89 TRPV1 (0.53) TRPV1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4765698 0.89 IMPDH2 (0.57) TRPV1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4765707 0.89 IMPDH2 (0.57) TRPV1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4767410 0.87 MAPT (0.57) TRPV1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4767400 0.87 MAPT (0.57) TRPV1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4766052 0.86 MAPT (0.55) TRPV1MAPTSMN1; SMN2MEN1NPC1

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