SCHEMBL6000940

SCHEMBL6000940

[CH2]OC(OCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
TSHR P16473 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TACR1 P25103 2/20 0.41
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
AGXT P21549 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL11100946 0.87 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL4413012 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL28231185 0.79 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL120857 0.78 TSHR (0.41) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL10126406 0.76 CYP1A2 (0.52) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL31650993 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL6691876 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL3041553 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL27299865 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL120858 0.74 CNR1 (0.42) SLC6A2SLC6A4SLC6A3TSHRIDO1

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed