SCHEMBL9800366

SCHEMBL9800366

COC(CCCCN1C(=O)c2ccccc2C1=O)OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 3/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5663071 0.95 MAPT (0.53) MAPTRAB9ASMN1; SMN2MAOBMEN1
SCHEMBL29678473 0.95 MAPT (0.53) MAPTRAB9ASMN1; SMN2MAOBMEN1
SCHEMBL12665719 0.88 RAB9A (0.51) MAPTRAB9ASMN1; SMN2
SCHEMBL15293799 0.81 MAOB (0.59) TDP1L3MBTL1MAOBHDAC1HDAC7
SCHEMBL16474055 0.81 MAPT (0.51) MAPTRAB9ASMN1; SMN2MAOBMEN1
SCHEMBL6790333 0.80 TDP1 (0.71) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL3469500 0.80 MAOB (0.60) TDP1L3MBTL1MAOBMEN1CYP1A2
SCHEMBL29263672 0.80 MAOB (0.60) TDP1L3MBTL1MAOBMEN1CYP1A2
SCHEMBL20099096 0.80 MAOB (0.60) TDP1L3MBTL1MAOBMEN1CYP1A2
SCHEMBL3468557 0.80 MAOB (0.60) TDP1L3MBTL1MAOBMEN1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994483-A 5-substituted-3-aminoalkyl indole derivatives for migraine GLAXO GROUP LIMITED (GB) 1991-02-19 US disclosed
US-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 US disclosed