SCHEMBL6410909

SCHEMBL6410909

Cc1ccc(F)c(C(=O)N2CCC3(CC2)CC(OC(=O)O)=NO3)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
HCRTR2 O43614 1/20 0.33
EGFR P00533 1/20 0.33
INSR P06213 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
KDR P35968 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL6410042 0.85 GPR119 (0.40) HPGDSMN1; SMN2GPR119CCNB2CDK1
SCHEMBL6410959 0.82 GAA (0.36) HPGDSMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL6415785 0.77 HTR1A (0.46)
SCHEMBL6410053 0.77 MGLL (0.42) HPGDKMT2AMEN1ALDH1A1
SCHEMBL2400831 0.77 HPGD (0.39) HPGDSMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL6416363 0.77 KDM4E (0.46) SMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL6415762 0.75 KMT2A (0.64) SMN1; SMN2LMNAKMT2AMEN1CYP3A4
SCHEMBL6409627 0.75 HPGD (0.40) HPGDEPHX2USP2ALDH1A1
SCHEMBL6418195 0.74 POLB (0.55) HPGDSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL6409750 0.73 HPGD (0.47) HPGDSMN1; SMN2LMNAKMT2A

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-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed