SCHEMBL7311154

SCHEMBL7311154

OCCN1CCCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.55
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.49
KCNH2 Q12809 1/20 0.49
DRD3 P35462 3/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NAAA Q02083 1/20 0.46
HCAR2 Q8TDS4 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
SCHEMBL7299996 0.95 SORD (0.60) SORDGAAKMT2AALDH1A1KCNH2
SCHEMBL15941341 0.87 SORD (0.57) SORDGAAKMT2AALDH1A1KCNH2
SCHEMBL2624458 0.85 SORD (0.58) SORDGAAKMT2AKCNH2LMNA
SCHEMBL30903262 0.83 ELANE (0.57) SORDGAAKMT2AKCNH2LMNA
SCHEMBL5021493 0.80 ELANE (0.61) SORDGAAKMT2AALDH1A1KCNH2
SCHEMBL31472604 0.80 ELANE (0.61) SORDGAAKMT2AALDH1A1KCNH2
SCHEMBL5021499 0.80 GAA (0.53) SORDGAAKMT2AKCNH2LMNA
SCHEMBL7534443 0.79 DRD3 (0.55) SORDGAAKMT2AALDH1A1KCNH2
SCHEMBL13091233 0.79 DRD3 (0.55) SORDGAAKMT2AKCNH2DRD3
SCHEMBL5021503 0.79 ELANE (0.62) SORDGAAKMT2AALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621271-B1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA (JP) 2001-10-17 EP disclosed
US-5631257-A ANTISEROTONIN AGENTS FOR TREATMENT OF NAUSEA AND ANTIEMETICS MEIJI SEIKA KAISHA, LTD. (JP) 1997-05-20 US disclosed
EP-0621271-A1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA LTD. (JP) 1994-10-26 EP disclosed