SCHEMBL6207573

SCHEMBL6207573

CC(C)Nc1ccc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
ACACB O00763 6/20 0.39
NPY2R P49146 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
HSD11B1 P28845 1/20 0.38
PIK3CD O00329 1/20 0.38
CSF1R P07333 1/20 0.38
CDK4 P11802 1/20 0.38
CDK6 Q00534 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 2/20 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
SCHEMBL6205966 0.88 PTGS1 (0.41) FPR1FPR2KDM4EPDE10AKDM4D
SCHEMBL1750086 0.86 FPR1 (0.44) FPR1FPR2KDM4EACACBNPY2R
SCHEMBL29772884 0.83 PDE10A (0.45) FPR1FPR2PDE10AKDM4DAAK1
SCHEMBL29772858 0.83 PDE10A (0.45) FPR1FPR2PDE10AKDM4DAAK1
SCHEMBL4294688 0.83 PDE10A (0.43) FPR1FPR2PDE10AKDM4DACACB
SCHEMBL24628490 0.83 PDE10A (0.45) FPR1FPR2PDE10AKDM4DAAK1
SCHEMBL4288048 0.83 PDE10A (0.43) FPR1FPR2PDE10AKDM4DACACB
SCHEMBL31485219 0.83 PDE10A (0.43) FPR1FPR2KDM4EPDE10AKDM4D
SCHEMBL4294928 0.80 ALDH1A1 (0.50) PDE10AMEN1MAPTKMT2A
SCHEMBL1750650 0.79 PDE10A (0.40) PDE10ANPY2RAAK1HSD11B1MEN1

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