SCHEMBL27645288

SCHEMBL27645288

Clc1ccc(CC2CCN(c3ccc4cccc(N5CCOCC5)c4n3)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
TSHR P16473 1/20 0.45
CCR3 P51677 5/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
CNR2 P34972 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 1/20 0.38
PIK3CA P42336 1/20 0.38
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STAT6 P42226 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2094509 0.83 CCR3 (0.48) GAACCR3ATMPDE10AFPR2
SCHEMBL2094511 0.83 GAA (0.53) GAACCR3PDE10AFPR2PROKR1
SCHEMBL27645278 0.81 GAA (0.46) GAACCR3CNR2PIM1PIM2
SCHEMBL27644559 0.68 KDM4E (0.52) GAAATMKDM4EALDH1A1PDE10A
SCHEMBL25296198 0.68 TSHR (0.50) GAATSHRLMNAKDM4EALDH1A1
SCHEMBL15442547 0.66 CCR3 (0.46) CCR3LMNAFPR2PROKR1SMN1; SMN2
SCHEMBL1124034 0.66 TSHR (0.82) GAATSHRATMLMNAPIK3CB
SCHEMBL1124068 0.66 TSHR (0.82) GAATSHRATMLMNAPIK3CB
SCHEMBL2090660 0.65 MAPT (0.46) GAACCR3LMNAKDM4EALDH1A1
SCHEMBL2090658 0.65 MAPT (0.46) GAACCR3LMNAKDM4EALDH1A1

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed