SCHEMBL8317012

SCHEMBL8317012

O=C1CC(NC(=O)c2ccccc2F)CCCN1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
GAA P10253 3/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
CHEK1 O14757 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL14856047 0.86 ALDH1A1 (0.60) GAAPKMALDH1A1NPC1RAB9A
SCHEMBL8311203 0.86 CDK2 (0.47) GRM5NPC1RAB9A
SCHEMBL28465600 0.80 NPC1 (0.66) GRM5GAAPKMALDH1A1NPC1
SCHEMBL10278648 0.80 GRM5 (0.64) GRM5GAAPKMALDH1A1NPC1
SCHEMBL31227213 0.80 CHEK1 (0.60) GRM5CHEK1
SCHEMBL5654175 0.80 CHEK1 (0.60) GRM5CHEK1
SCHEMBL14857155 0.79 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKDM4ECHEK1
SCHEMBL14857154 0.79 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKDM4ECHEK1
SCHEMBL12181533 0.79 NPC1 (0.69) GRM5GAAPKMALDH1A1NPC1
SCHEMBL3455151 0.79 NPC1 (0.69) GRM5GAAPKMALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed