SCHEMBL5048882

SCHEMBL5048882

[NH]C(Cc1ccc(C#CCCCC2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
SLC6A4 P31645 2/20 0.37
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
ADAMTS4 O75173 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
FFAR2 O15552 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
CCR3 P51677 5/20 0.33
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5047701 0.81 FFAR1 (0.47) HRH3SLC6A4FFAR2
SCHEMBL5046558 0.81 FFAR1 (0.47) HRH3SLC6A4FFAR2
SCHEMBL5045663 0.81 FFAR1 (0.37) HRH3SLC6A4KDM4EALDH1A1
SCHEMBL5044417 0.81 FFAR1 (0.47) HRH3SLC6A4FFAR2
SCHEMBL4971850 0.81 SIGMAR1 (0.43) HRH3SLC6A4NMT2NMT1ADAMTS4
SCHEMBL5044888 0.74 ITGB1 (0.45) ITGB1ITGA4ALDH1A1
SCHEMBL1855276 0.74 PTGES (0.41) SLC6A4NMT2NMT1ADAMTS4ADAMTS5
SCHEMBL5039923 0.68 ACACB (0.45) MAOB
SCHEMBL1854030 0.68 MAOB (0.50) MAOB
SCHEMBL6721342 0.67 MAOB (0.49) MAOB

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed