SCHEMBL8934796

SCHEMBL8934796

O=C(Nc1ccc(OC(F)(F)F)cc1)OCCCc1c[nH]cn1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7960977 0.86 NPC1 (0.43) EPHX2NPC1RAB9A
SCHEMBL7971223 0.85 MEN1 (0.52) MEN1NPC1KMT2ARAB9A
SCHEMBL7973065 0.82 NPC1 (0.49) NPC1RAB9A
SCHEMBL7972926 0.82 PKM (0.46) NPC1RAB9ALMNA
SCHEMBL7974587 0.82 NPC1 (0.46) NPC1TSHRRAB9A
SCHEMBL7961372 0.82 NPC1 (0.62) MEN1NPC1KMT2ATSHRRAB9A
SCHEMBL7994461 0.81 RAB9A (0.47) NPC1RAB9ALMNA
SCHEMBL8795678 0.80 SLC13A3 (0.49) NPC1RAB9ALMNA
SCHEMBL7971497 0.78 MAPT (0.46) EPHX2MEN1NPC1KMT2ARAB9A
SCHEMBL8686305 0.77 HRH3 (0.36)

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
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed