SCHEMBL844394

SCHEMBL844394

Cc1c(C(=O)O)oc2cc(C(=O)NC3CC4CC3CN4)ncc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.37
MCL1 Q07820 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CHRNA7 P36544 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL843113 0.80 SLC26A4 (0.35) MCL1MEN1KMT2AHTR3EHTR3B
SCHEMBL844330 0.79 CHRNA7 (0.35) ALDH1A1HPGDHTR3EHTR3BCHRNA7
SCHEMBL843803 0.78 CHRNA7 (0.39) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL842843 0.77 CHRNA7 (0.37) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL843928 0.76 CHRNA7 (0.36) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL843604 0.76 CHRNA7 (0.36) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL842935 0.76 CHRNA7 (0.34) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL843834 0.76 CHRNA7 (0.34) KDM4EALDH1A1HPGDGAAHTR3E
SCHEMBL843782 0.76 CHRNA7 (0.35) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL843157 0.76 CHRNA7 (0.35) HTR3EHTR3BCHRNA7HTR3AHTR3D

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-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed