SCHEMBL27989183

SCHEMBL27989183

CC(C)(C)NC(=O)OC1CCCN(c2ccc(F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTMT1 Q9BV86 2/20 0.50
▸ FFAR4 Q5NUL3 3/20 0.47
▸ NOTUM Q6P988 1/20 0.44
▸ DEGS1 O15121 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27988972 0.93 NOTUM (0.49) NTMT1FFAR4NOTUM
SCHEMBL27988992 0.86 NOTUM (0.46) NTMT1NOTUMDEGS1NPC1RAB9A
SCHEMBL28597887 0.84 NOTUM (0.43) NTMT1FFAR4NOTUM
SCHEMBL22499928 0.81 NOTUM (0.53) NTMT1NOTUMDEGS1
SCHEMBL28597269 0.81 NOTUM (0.53) NTMT1NOTUMDEGS1
SCHEMBL23500782 0.80 ACACB (0.48) FFAR4NOTUMMAPK1MAPTCHRM5
SCHEMBL28543053 0.79 SLC16A3 (0.38) NTMT1ALDH1A1L3MBTL1
SCHEMBL20484096 0.79 NOTUM (0.52) FFAR4NOTUMDEGS1MAPT
SCHEMBL28603264 0.77 ACACB (0.48) NOTUM
SCHEMBL27666702 0.75 GFER (0.44) NTMT1NPC1RAB9ATP53MAPK1

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
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 — — CN disclosed
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