SCHEMBL4765698

SCHEMBL4765698

O=C(/C=C/c1cccc(F)c1)Nc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.57
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KDM4E B2RXH2 1/20 0.49
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
MAOB P27338 1/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 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
SCHEMBL4765707 1.00 IMPDH2 (0.57) IMPDH2MMP1MMP2MMP9CA12
Trifluoroacetic Acid SCHEMBL4770275 0.95 IMPDH2 (0.52) IMPDH2MMP1MMP2MMP9CA12
Trifluoroacetic Acid SCHEMBL4770261 0.95 IMPDH2 (0.52) IMPDH2MMP1MMP2MMP9CA12
SCHEMBL4774745 0.89 TRPV1 (0.53) MMP1MMP2MMP9CA12CA9
SCHEMBL4774758 0.89 TRPV1 (0.53) MMP1MMP2MMP9CA12CA9
SCHEMBL4773031 0.89 TRPV1 (0.53) MMP1MMP2MMP9NPC1RAB9A
SCHEMBL4773020 0.89 TRPV1 (0.53) MMP1MMP2MMP9NPC1RAB9A
SCHEMBL4766052 0.86 MAPT (0.55) IMPDH2MMP1MMP2MMP9NPC1
SCHEMBL4766039 0.86 MAPT (0.55) IMPDH2MMP1MMP2MMP9NPC1
Trifluoroacetic Acid SCHEMBL4774472 0.85 TRPV1 (0.50) MMP1MMP2MMP9NPC1RAB9A

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