SCHEMBL843113

SCHEMBL843113

Cc1oc2cnc(C(=O)NC3CC4CC3CN4)cc2c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 7/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
CHRNA7 P36544 3/20 0.33
HTR3A P46098 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 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
SCHEMBL842843 0.81 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844394 0.80 GPR35 (0.37) KMT2AMEN1CHRNA7HTR3AHTR3E
SCHEMBL843604 0.80 CHRNA7 (0.36) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843803 0.80 CHRNA7 (0.39) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843812 0.79 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842775 0.78 CHRNA7 (0.36) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843377 0.77 CHRNA7 (0.36) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844330 0.77 CHRNA7 (0.35) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842569 0.77 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844814 0.77 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D

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