SCHEMBL4750672

SCHEMBL4750672

Oc1cccc(C2=NC(Cc3ccccc3)CO2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
ALDH1A1 P00352 1/20 0.65
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HRH3 Q9Y5N1 2/20 0.60
TAAR1 Q96RJ0 2/20 0.51
CYP19A1 P11511 1/20 0.46
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 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
SCHEMBL4750670 1.00 MAPT (0.65) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL14351756 0.90 MAPT (0.72) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL1337583 0.84 MAPT (0.65) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL12786229 0.81 MAPT (0.71) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL1983682 0.81 MAPT (0.71) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL4788912 0.78 HRH3 (0.44) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL4788914 0.78 HRH3 (0.44) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL14448351 0.77 MAPT (0.59) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL8307478 0.76 NPC1 (0.62) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL8550159 0.76 NPC1 (0.62) MAPTALDH1A1NPC1RAB9APOLB

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
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed