SCHEMBL9202995

SCHEMBL9202995

O=C(O)C1=C(COC2CCCCO2)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TMEM97 Q5BJF2 7/20 0.45
SIGMAR1 Q99720 7/20 0.45
HTR1A P08908 3/20 0.45
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
HRH3 Q9Y5N1 3/20 0.45
ADRA2C P18825 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.43
PREP P48147 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL9181109 0.90 HTT (0.44) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL9184466 0.82 MEN1 (0.46) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL21906706 0.79 MEN1 (0.47) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL578446 0.78 SMN1; SMN2 (0.54) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL9177283 0.77 MEN1 (0.43) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL11258174 0.76 KDM4C (0.46) MEN1KMT2ANPSR1EP300CREBBP
SCHEMBL2148636 0.76 SMN1; SMN2 (0.49) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL18740435 0.76 MEN1 (0.50) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL4184332 0.75 KDM4C (0.47) MEN1KMT2AEP300CREBBP
SCHEMBL11175135 0.75 MEN1 (0.45) MEN1KMT2ASIGMAR1PREP

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-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 EP disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed