SCHEMBL8845669

SCHEMBL8845669

O=C(NN1CCOCC1)Oc1ccc2c(ccn2CCCc2ccncc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 7/20 0.41
MGLL Q99685 2/20 0.39
MAPK14 Q16539 1/20 0.36
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGB5 P18084 1/20 0.34

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
SCHEMBL8845673 0.80 REN (0.36) MGLLBCHEACHEMTNR1AMTNR1B
SCHEMBL8845544 0.76 TP53 (0.42) LIPEMGLLTP53NPC1
SCHEMBL8845665 0.72 LIPE (0.43) LIPEITGB3ITGAVITGB5
SCHEMBL8845781 0.71 LIPE (0.39) LIPEBCHEACHE
SCHEMBL9739036 0.71 SLC6A2 (0.47) LIPECCNCCDK8
SCHEMBL8539327 0.70 BCHE (0.49) MGLLCCNCCDK8NPC1BCHE
SCHEMBL8845545 0.70 ITGB3 (0.44) LIPEMGLLTP53ITGB3ITGAV
SCHEMBL9738844 0.68 BCHE (0.51) LIPEMGLLBCHEACHE
Hydrochloric Acid SCHEMBL9671993 0.67 BCHE (0.50) LIPEMGLLBCHEACHE
SCHEMBL8845543 0.67 PLA2G4A (0.44) MGLLMTNR1AMTNR1BITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688816-A COGNITION ACTIVATOR; ALZHEIMER'S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-11-18 US disclosed
US-5455245-A Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
US-5264442-A For treating alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US disclosed
EP-0471298-A1 Carbamoyl-1-(pyridinylalkyl)-1H-indoles, indolines and related analogs HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-02-19 EP disclosed