SCHEMBL8520682

SCHEMBL8520682

O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1COc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
GRIN2B Q13224 2/20 0.42
ITGB1 P05556 3/20 0.40
ITGA5 P08648 3/20 0.40
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGB5 P18084 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX4 Q99571 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39

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
SCHEMBL8437402 0.82 POLB (0.46) POLBGRIN2B
SCHEMBL31722127 0.82 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL26714275 0.82 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL9639986 0.81 POLB (0.54) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL92404 0.80 NR4A1 (0.50) POLBITGB1
SCHEMBL14012812 0.80 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL12164616 0.80 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8697857 0.80 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8660402 0.80 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL3578965 0.80 POLB (0.55) POLBPSEN1PSEN2APH1BNCSTN

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-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed