SCHEMBL5021499

SCHEMBL5021499

CN1CCCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
SORD Q00796 2/20 0.51
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 1/20 0.48
ELANE P08246 2/20 0.48
NAAA Q02083 1/20 0.47
PHGDH O43175 1/20 0.47
HTR6 P50406 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL2056153 0.94 GAA (0.58) GAAKMT2ASORDLMNASMN1; SMN2
SCHEMBL2624458 0.91 SORD (0.58) GAAKMT2ASORDLMNASMN1; SMN2
SCHEMBL30903262 0.89 ELANE (0.57) GAAKMT2ASORDLMNASMN1; SMN2
SCHEMBL5021493 0.86 ELANE (0.61) GAAKMT2ASORDLMNASMN1; SMN2
SCHEMBL31472604 0.86 ELANE (0.61) GAAKMT2ASORDLMNASMN1; SMN2
SCHEMBL1981175 0.84 ELANE (0.62) GAAKMT2ASORDLMNASMN1; SMN2
SCHEMBL5021503 0.84 ELANE (0.62) GAAKMT2ASORDLMNASMN1; SMN2
SCHEMBL6488417 0.83 FAAH (0.51)
SCHEMBL6488071 0.81 PTGES (0.57)
SCHEMBL7311154 0.80 SORD (0.55) GAAKMT2ASORDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178666-B2 2-aminobenzoxazole process ALBANY MOLECULAR RESEARCH, INC. (US) 2012-05-15 US disclosed
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