SCHEMBL6029136

SCHEMBL6029136

COc1ccc(-c2cnc(SCC(=O)NC(C)(C3CCCC3)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 5/20 0.41
AAK1 Q2M2I8 2/20 0.40
STK17B O94768 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PDE4B Q07343 2/20 0.39
OPRK1 P41145 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL6169175 0.99 LMNA (0.46) LMNAPOLBATMRAB9AMAPK1
SCHEMBL6029331 0.84 LMNA (0.40) LMNAPOLBATMRAB9AMAPT
SCHEMBL6169605 0.84 LMNA (0.38) LMNAPOLBATMRAB9AMAPK1
SCHEMBL6030286 0.81 LMNA (0.45) LMNAPOLBATMRAB9AMAPK1
SCHEMBL6030480 0.81 LMNA (0.44) LMNAPOLBATMRAB9AMAPK1
SCHEMBL6169643 0.80 LMNA (0.46) LMNAPOLBATMRAB9AMAPK1
SCHEMBL6030468 0.80 LMNA (0.44) LMNAPOLBATMRAB9AMAPK1
SCHEMBL6169178 0.80 LMNA (0.45) LMNAPOLBATMRAB9AMAPK1
SCHEMBL6029268 0.78 MAPT (0.43) LMNAPOLBATMRAB9AMAPK1
SCHEMBL6029156 0.76 LMNA (0.41) LMNAPOLBATMRAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP claimed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO claimed
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO disclosed