SCHEMBL1979995

SCHEMBL1979995

NC1c2ccc(F)cc2OCC1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.36
LTB4R2 Q9NPC1 4/20 0.36
CA2 P00918 1/20 0.36
ADRA2A P08913 1/20 0.36
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
NR3C2 P08235 1/20 0.34

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
SCHEMBL13834402 1.00 LTB4R (0.36) LTB4RLTB4R2CA2ADRA2AKDM1A
SCHEMBL1979997 1.00 LTB4R (0.36) LTB4RLTB4R2CA2ADRA2AKDM1A
SCHEMBL6899058 1.00 LTB4R (0.36) LTB4RLTB4R2CA2ADRA2AKDM1A
SCHEMBL13834521 0.87 GRM7 (0.41) CA2KDM1AKDM1B
SCHEMBL6899490 0.87 GRM7 (0.41) CA2KDM1AKDM1B
SCHEMBL1981577 0.80 MAP3K14 (0.53) LTB4RLTB4R2CA2
SCHEMBL13834604 0.80 MAP3K14 (0.53) LTB4RLTB4R2CA2
SCHEMBL6897674 0.80 AKR1B1 (0.38) LTB4RLTB4R2ADRA2A
SCHEMBL6900318 0.80 MAP3K14 (0.53) LTB4RLTB4R2CA2
SCHEMBL29920414 0.80 HCRTR2 (0.37) LTB4RLTB4R2CA2ADRA2AKDM1A

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-2509950-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES Janssen R&D Ireland (IE) 2012-10-17 EP disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO disclosed