SCHEMBL6669700

SCHEMBL6669700

O=C(NC[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.50
MCHR1 Q99705 1/20 0.48
SIGMAR1 Q99720 4/20 0.46
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
CCR3 P51677 1/20 0.42

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
SCHEMBL6682343 0.93 DRD4 (0.51) DRD4MCHR1SIGMAR1MEN1LMNA
SCHEMBL4476568 0.93 DRD4 (0.51) DRD4MCHR1SIGMAR1MEN1LMNA
SCHEMBL14018298 0.81 DRD4 (0.55) DRD4MCHR1SIGMAR1MEN1LMNA
SCHEMBL4494019 0.81 HTT (0.40) MCHR1KMT2AKDM4EHTT
SCHEMBL6668238 0.80 DRD4 (0.43) DRD4SIGMAR1MEN1LMNACYP1A2
SCHEMBL6670416 0.79 KCNJ1 (0.39) SIGMAR1MEN1LMNAKMT2AKDM4E
SCHEMBL30211808 0.78 DRD4 (0.56) DRD4MCHR1SIGMAR1MEN1LMNA
SCHEMBL4481896 0.77 DRD4 (0.49) DRD4SIGMAR1LMNAKDM4E
SCHEMBL1809601 0.77 DRD4 (0.54) DRD4MCHR1SIGMAR1MEN1LMNA
SCHEMBL1809602 0.77 DRD4 (0.54) DRD4MCHR1SIGMAR1MEN1LMNA

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-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed