SCHEMBL5011649

SCHEMBL5011649

[O]c1cc(N2CCN(CCCCc3ccccc3)CC2)c2ncsc2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
HTR1A P08908 4/20 0.47
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
CCR3 P51677 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45

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 0.84 HTR1A (0.60) SIGMAR1HTR1ADRD2HTR2ACCR3
SCHEMBL27666117 0.81 HTR1A (0.58) SIGMAR1HTR1ADRD2HTR2AMEN1
SCHEMBL5015053 0.79 SIGMAR1 (0.49) SIGMAR1HTR1ADRD2HTR2ACCR3
SCHEMBL27645231 0.78 HTR1A (0.51) SIGMAR1HTR1ADRD2HTR2ACCR3
SCHEMBL5537393 0.70 SIGMAR1 (0.80) SIGMAR1HTR1ADRD2HTR2ACCR3
SCHEMBL5544273 0.69 SIGMAR1 (0.78) SIGMAR1HTR1ADRD2HTR2ACCR3
SCHEMBL5535816 0.69 SIGMAR1 (0.78) SIGMAR1HTR1ADRD2HTR2ACCR3
SCHEMBL8092982 0.69 SIGMAR1 (0.85) SIGMAR1CCR3MEN1KMT2A
SCHEMBL30671734 0.68 SIGMAR1 (1.00) SIGMAR1HTR1ADRD2HTR2ACCR3
SCHEMBL27666166 0.67 HTR1A (0.43) SIGMAR1HTR1ADRD2HTR2ACCR3

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