SCHEMBL4988573

SCHEMBL4988573

O=C[C@@H]1CN(C(=O)O)CCN1C(=O)c1ncn(C2Cc3ccccc3C2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.36
PTGS2 P35354 2/20 0.33
KDM4A O75164 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3494477 0.89 USP30 (0.39)
SCHEMBL3495602 0.83 CYP11B2 (0.34) CYP11B2PTGS2CTDSP1TDP1
SCHEMBL3496018 0.83 CYP11B2 (0.35) CYP11B2PTGS2KDM4AKDM5AKDM4C
SCHEMBL3493922 0.81 CYP11B2 (0.34) CYP11B2PTGS2CTDSP1TDP1
SCHEMBL3493920 0.81 CYP11B2 (0.34) CYP11B2PTGS2CTDSP1TDP1
SCHEMBL3495160 0.81 CYP11B2 (0.34) CYP11B2PTGS2
SCHEMBL3494480 0.79 CYP11B2 (0.35) CYP11B2KDM4AKDM5AKDM4CKDM5B
SCHEMBL4982236 0.76 HCRTR2 (0.31) PTGS2
SCHEMBL3494313 0.76 POLB (0.34)
SCHEMBL3491411 0.75 CYP11B2 (0.49) CYP11B2PTGS2KDM4AKDM5AKDM4C

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-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed