SCHEMBL8845665

SCHEMBL8845665

O=C(NN1CCOCC1)Oc1ccc2c(ccn2C(CCF)c2ccncc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.43
ITGB3 P05106 8/20 0.40
ITGAV P06756 8/20 0.40
SLC6A2 P23975 1/20 0.37
ITGB5 P18084 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX7 Q99572 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL8845540 0.83 SLC6A2 (0.49) LIPEITGB3ITGAVSLC6A2ITGB5
SCHEMBL8845670 0.79 ITGB3 (0.40) ITGB3ITGAVSLC6A2ITGB5
SCHEMBL8845539 0.76 SLC6A2 (0.56) ITGB3ITGAVSLC6A2ITGB5ALDH1A1
SCHEMBL9739036 0.75 SLC6A2 (0.47) LIPESLC6A2SMN1; SMN2TSHR
SCHEMBL8845669 0.72 LIPE (0.41) LIPEITGB3ITGAVITGB5
SCHEMBL9196729 0.71 SLC6A2 (0.52) ITGB3ITGAVSLC6A2ITGB5SMN1; SMN2
SCHEMBL8845725 0.71 SLC6A2 (0.54) ITGB3ITGAVSLC6A2ITGB5RAB9A
SCHEMBL9155328 0.70 SLC6A2 (0.56) ITGB3ITGAVSLC6A2ITGB5RAB9A
SCHEMBL8845528 0.70 FAAH (0.48) ITGB3ITGAV
SCHEMBL9158206 0.70 LIPE (0.41) LIPE

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
US-5688816-A COGNITION ACTIVATOR; ALZHEIMER'S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-11-18 US disclosed