SCHEMBL4700561

SCHEMBL4700561

[CH2]CC1CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
EPHX1 P07099 2/20 0.52
EPHX2 P34913 2/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 1/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1C3 P42330 1/20 0.47
NPC1 O15118 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46

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
SCHEMBL23094515 0.85 KDM4E (0.55) KDM4EGAAPOLBEPHX1EPHX2
SCHEMBL3458901 0.85 ACHE (0.63) EPHX1HTTMEN1KMT2A
SCHEMBL8432259 0.84 RECQL (0.54) KDM4EGAAPOLBEPHX1EPHX2
SCHEMBL4703093 0.84 KDM4E (0.54) KDM4EGAAPOLBEPHX1EPHX2
SCHEMBL4703096 0.84 KDM4E (0.54) KDM4EGAAPOLBEPHX1EPHX2
SCHEMBL4701630 0.81 KDM4E (0.51) KDM4EGAAPOLBEPHX1EPHX2
SCHEMBL14393583 0.81 RECQL (0.51) KDM4EGAAPOLBEPHX1EPHX2
SCHEMBL4705307 0.81 VNN1 (0.58) KDM4EGAAPOLBEPHX1EPHX2
SCHEMBL4701634 0.81 PRSS1 (0.53) KDM4EGAAPOLBEPHX1EPHX2
SCHEMBL8245519 0.80 CYP3A4 (0.54) KDM4EGAAPOLBEPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed