SCHEMBL5015053

SCHEMBL5015053

[O]c1ccc(N2CCN(CCCCCc3ccccc3)CC2)c2ncsc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.49
CCR3 P51677 1/20 0.45
POLB P06746 1/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27645138 0.80 HTR1A (0.60) SIGMAR1CCR3POLBHTR1ADRD2
SCHEMBL5011649 0.79 SIGMAR1 (0.49) SIGMAR1CCR3POLBHTR1ADRD2
SCHEMBL27666117 0.77 HTR1A (0.58) SIGMAR1POLBHTR1ADRD2HTR2A
SCHEMBL27645231 0.76 HTR1A (0.51) SIGMAR1CCR3POLBHTR1ADRD2
SCHEMBL8092982 0.71 SIGMAR1 (0.85) SIGMAR1CCR3MEN1KMT2A
SCHEMBL30671733 0.69 SIGMAR1 (0.97) SIGMAR1CCR3HTR1ADRD2HTR2A
SCHEMBL5544273 0.69 SIGMAR1 (0.78) SIGMAR1CCR3HTR1ADRD2HTR2A
SCHEMBL5535816 0.69 SIGMAR1 (0.78) SIGMAR1CCR3HTR1ADRD2HTR2A
SCHEMBL5015098 0.69 SIGMAR1 (0.50) SIGMAR1CCR3HTR1AMEN1KMT2A
SCHEMBL30671734 0.68 SIGMAR1 (1.00) SIGMAR1CCR3HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed