SCHEMBL6205981

SCHEMBL6205981

O=C(O)OC1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
POLB P06746 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX15 P16050 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL3406339 0.86 MAPT (0.55) NOTUMALDH1A1MAPTTSHRNPSR1
SCHEMBL3820953 0.81 NOTUM (0.41) NOTUMALDH1A1MAPTPOLBCYP2C9
SCHEMBL1749207 0.79 NOTUM (0.81) NOTUMALDH1A1NPC1RAB9AMAPT
SCHEMBL6206254 0.79 ALDH1A1 (0.51) NOTUMALDH1A1MAPTTSHRNPSR1
SCHEMBL27988992 0.78 NOTUM (0.46) NOTUMALDH1A1NPC1RAB9AMAPT
SCHEMBL9501600 0.77 NOTUM (0.68) NOTUMALDH1A1NPC1RAB9AMAPT
SCHEMBL12093605 0.77 LMNA (0.48) NOTUMALDH1A1NPC1RAB9AMAPT
SCHEMBL16595544 0.77 NOTUM (0.67) NOTUMALDH1A1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL9499696 0.76 NOTUM (0.66) NOTUMALDH1A1NPC1RAB9AMAPT
SCHEMBL3406337 0.76 CYP2C19 (0.55) NOTUMALDH1A1MAPTMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed