SCHEMBL6205966

SCHEMBL6205966

CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(NC3CCC3)cc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
PDE10A Q9Y233 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
KDM4D Q6B0I6 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPY2R P49146 2/20 0.37
NPY5R Q15761 1/20 0.36
EML4 Q9HC35 1/20 0.36
ALK Q9UM73 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6207573 0.88 FPR1 (0.41) FPR1FPR2PDE10AAAK1KDM4D
SCHEMBL1749749 0.86 PTGS1 (0.47) PTGS1PTGS2FPR1FPR2MAPT
SCHEMBL29772884 0.82 PDE10A (0.45) FPR1FPR2PDE10AAAK1KDM4D
SCHEMBL4294688 0.82 PDE10A (0.43) FPR1FPR2PDE10AAAK1KDM4D
SCHEMBL31485219 0.82 PDE10A (0.43) FPR1FPR2PDE10AAAK1KDM4D
SCHEMBL24628490 0.82 PDE10A (0.45) FPR1FPR2PDE10AAAK1KDM4D
SCHEMBL29772858 0.82 PDE10A (0.45) FPR1FPR2PDE10AAAK1KDM4D
SCHEMBL4288048 0.82 PDE10A (0.43) FPR1FPR2PDE10AAAK1KDM4D
SCHEMBL4294928 0.79 ALDH1A1 (0.50) PDE10AALDH1A1MAPTMAPK1HTT
SCHEMBL1750650 0.78 PDE10A (0.40) PDE10AAAK1HSD11B1MAPTHTT

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