SCHEMBL13699771

SCHEMBL13699771

O=Cc1cn(CCO)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
ALDH1A1 P00352 5/20 0.40
BCHE P06276 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ERN1 O75460 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 3/20 0.38

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
SCHEMBL8271779 0.85 PTGER4 (0.47) PTGER4ALDH1A1BCHESMN1; SMN2LMNA
SCHEMBL6638954 0.84 NPC1 (0.48) ALDH1A1BCHESMN1; SMN2LMNAHTT
SCHEMBL28799972 0.84 BCHE (0.54) BCHEACHE
SCHEMBL6641148 0.83 ALDH1A1 (0.44) PTGER4ALDH1A1BCHESMN1; SMN2LMNA
SCHEMBL22450720 0.82 PTGER4 (0.52) PTGER4ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL10184024 0.80 NPC1 (0.52) ALDH1A1BCHESMN1; SMN2LMNAHTT
SCHEMBL29071621 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAHTTNPC1
SCHEMBL17829696 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4350898 0.78 PTGER4 (0.43) PTGER4ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL1093666 0.76 ALDH1A1 (0.66) PTGER4ALDH1A1NPC1RAB9AKDM4E

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
EP-2105164-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2009-09-30 EP disclosed