SCHEMBL13636016

SCHEMBL13636016

C=CCN1CCN(C(=O)/C=C\c2cccc(C(C)O)c2OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HPGD P15428 3/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NFE2L2 Q16236 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
F2R P25116 1/20 0.38
OPRD1 P41143 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4378985 0.85 LMNA (0.59) LMNAHPGDKMT2AKDM4ENFE2L2
SCHEMBL14190946 0.85 LMNA (0.59) LMNAHPGDKMT2AKDM4ENFE2L2
SCHEMBL13636165 0.80 HPGD (0.46) LMNAHPGDKMT2AKDM4ENFE2L2
SCHEMBL13636199 0.79 HPGD (0.45) LMNAHPGDKMT2AKDM4ENFE2L2
SCHEMBL4379174 0.75 TDP1 (0.47) LMNAHPGDKDM4ETDP1L3MBTL1
SCHEMBL14190948 0.75 TDP1 (0.47) LMNAHPGDKDM4ETDP1L3MBTL1
SCHEMBL4378517 0.74 NPC1 (0.64) HPGDKMT2AKDM4EL3MBTL1F2R
SCHEMBL13636477 0.74 NPC1 (0.64) HPGDKMT2AKDM4EL3MBTL1F2R
SCHEMBL14218138 0.73 LMNA (0.62) LMNAHPGDKMT2AKDM4ENFE2L2
SCHEMBL13636009 0.72 SMN1; SMN2 (0.59) LMNAHPGDKMT2AKDM4ETDP1

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed