SCHEMBL6410215

SCHEMBL6410215

CCc1ccc(C(=O)N2CCC3(CC2)CC(OC(=O)O)=NO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.42
DRD3 P35462 3/20 0.40
DRD2 P14416 1/20 0.40
KMT2A Q03164 4/20 0.39
ADRB2 P07550 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 3/20 0.38
CYP2D6 P10635 1/20 0.38
MGLL Q99685 1/20 0.38
CYP2C9 P11712 3/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL6418195 0.85 POLB (0.55) KMT2AMEN1SMN1; SMN2GAATSHR
SCHEMBL6409750 0.85 HPGD (0.47) KMT2ASMN1; SMN2LMNATSHRMGLL
SCHEMBL2400758 0.84 SLC6A7 (0.44) SLC6A7DRD3DRD2KMT2AADRB2
SCHEMBL6410851 0.83 HSD11B1 (0.47) MGLL
SCHEMBL6410752 0.81 USP7 (0.39) SLC6A7KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6411763 0.80 EPHX2 (0.38) KMT2AMEN1SMN1; SMN2LMNAGAA
SCHEMBL6410053 0.80 MGLL (0.42) KMT2AMEN1TSHRMGLLPOLB
SCHEMBL6415785 0.78 HTR1A (0.46)
SCHEMBL6416570 0.77 PKM (0.47) KMT2AMEN1MGLLPOLBALDH1A1
SCHEMBL6418199 0.77 MAPT (0.48) LMNAGAAMAPT

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