SCHEMBL4411253

SCHEMBL4411253

CC(C)COc1cccc2[nH]c(OC(=O)NC3CCC(CN(C)C4CCOCC4)CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
PTGER1 P34995 1/20 0.33
HTR1A P08908 2/20 0.33
SLC6A2 P23975 2/20 0.33
ABCB11 O95342 1/20 0.33
ADRA2A P08913 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
CYP2D6 P10635 4/20 0.33
CSF1R P07333 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 3/20 0.32
ADRB3 P13945 2/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL914267 0.87 KDM4E (0.38) LMNACYP2D6KDM4EALDH1A1CYP1A2
SCHEMBL6963102 0.87 KDM4E (0.38) LMNACYP2D6KDM4EALDH1A1CYP1A2
SCHEMBL4405573 0.81 CCR5 (0.42) LMNAPTGER1HTR1ASLC6A2CYP2D6
SCHEMBL4400749 0.78 PTGER1 (0.34) LMNAPTGER1HTR1ASLC6A2ABCB11
SCHEMBL4402091 0.76 LMNA (0.42) LMNAHTR1ASLC6A2ABCB11ADRA2A
SCHEMBL4396585 0.76 LMNA (0.40) LMNAHTR1ASLC6A2ABCB11ADRA2A
SCHEMBL4551166 0.76 LMNA (0.42) LMNAHTR1ASLC6A2ABCB11ADRA2A
SCHEMBL4405571 0.76 KDM4E (0.39) LMNAHTR1AKDM4EALDH1A1HSD17B10
SCHEMBL4401971 0.75 LMNA (0.37) LMNAHTR1ASLC6A2ABCB11ADRA2A
SCHEMBL12905932 0.75 KMT2A (0.38) LMNAHTR1ACYP2D6KDM4EALDH1A1

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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed