SCHEMBL8205627

SCHEMBL8205627

CONC(=O)c1cc(OC2CCCCO2)cc(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.34
HPGD P15428 4/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CFTR P13569 1/20 0.34
DHFR P00374 1/20 0.33
PDE4B Q07343 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL23907118 0.73 HSD11B1 (0.38) SLC6A3KMT2ADHFRPDE4BCYP1A2
SCHEMBL23907104 0.72 DHFR (0.37) SLC6A3KMT2ADHFRPDE4B
SCHEMBL14422348 0.71 ALDH1A1 (0.51) SLC6A3HPGDKMT2A
SCHEMBL8209894 0.71 DHFR (0.38) HPGDKMT2ADHFRSMN1; SMN2L3MBTL1
SCHEMBL5618972 0.71 MEN1 (0.43) HPGDKMT2ADHFRPDE4BSMN1; SMN2
SCHEMBL563008 0.70 HSD11B1 (0.38) SLC6A3HPGDKMT2ADHFRPDE4B
SCHEMBL18868394 0.70 ALDH1A1 (0.47) SLC6A3HPGDKMT2APDE4B
SCHEMBL10203685 0.70 KDM4E (0.39) SLC6A3HPGDKDM4EPDE4BSMN1; SMN2
SCHEMBL3905489 0.69 CA12 (0.46) SLC6A3HPGDKMT2AKDM4ECFTR
SCHEMBL23907117 0.69 HSD11B1 (0.35) SLC6A3KMT2ADHFRPDE4BCYP2C9

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-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed