SCHEMBL17156965

SCHEMBL17156965

O=C(c1ccccc1F)N1CCc2nc(OC3CCN(C4CCC4)CC3)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.46
PDE4B Q07343 1/20 0.46
HRH3 Q9Y5N1 4/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GRM5 P41594 7/20 0.40
KCNH2 Q12809 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HRH1 P35367 1/20 0.39

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
Cadaverine Tartrate SCHEMBL15739047 0.94 MEN1 (0.43) MEN1KMT2AKDM4EPDE4BHRH3
SCHEMBL3239969 0.84 PDE4B (0.50) MEN1KMT2AKDM4EPDE4BHRH3
SCHEMBL17156960 0.83 KDM4E (0.46) MEN1KMT2AKDM4EPDE4BHRH3
SCHEMBL17156969 0.81 ALDH1A1 (0.48) MEN1KMT2AHRH3ALDH1A1
SCHEMBL17156947 0.80 HRH3 (0.48) KMT2AKDM4EPDE4BHRH3ALDH1A1
SCHEMBL17156963 0.80 GRM5 (0.48) HRH3GRM5
SCHEMBL17156958 0.80 GRM5 (0.51) HRH3GRM5
SCHEMBL17156954 0.79 GRM5 (0.47) MEN1KMT2AHRH3GRM5KCNH2
SCHEMBL17156955 0.79 GRM5 (0.50) HRH3GRM5
SCHEMBL167877 0.78 HRH3 (0.42) HRH3GRM5KCNH2HRH1

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-2611444-B1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-14 EP claimed