SCHEMBL4774758

SCHEMBL4774758

O=C(C=Cc1ccc(F)cc1)Nc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MMP1 P03956 3/20 0.49
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
EGFR P00533 1/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
MAOB P27338 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
APP P05067 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45

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
SCHEMBL4774745 1.00 TRPV1 (0.53) TRPV1MAPTSMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4768005 0.94 TRPV1 (0.51) TRPV1MAPTSMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4767993 0.94 TRPV1 (0.51) TRPV1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4773031 0.89 TRPV1 (0.53) TRPV1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4773020 0.89 TRPV1 (0.53) TRPV1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4765707 0.89 IMPDH2 (0.57) TRPV1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4765698 0.89 IMPDH2 (0.57) TRPV1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4767400 0.87 MAPT (0.57) TRPV1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4767410 0.87 MAPT (0.57) TRPV1MAPTSMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4774472 0.86 TRPV1 (0.50) TRPV1MAPTSMN1; SMN2MEN1KMT2A

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