SCHEMBL843736

SCHEMBL843736

O=C(N[C@@H]1CC2CCN(C2)C1)c1cc2oc(F)cc2cn1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.65
HTR3A P46098 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
ABL1 P00519 2/20 0.36
USP30 Q70CQ3 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL843849 1.00 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843850 1.00 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843974 0.93 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843973 0.93 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843789 0.88 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843788 0.88 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844085 0.87 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844086 0.87 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843914 0.87 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843505 0.87 CHRNA7 (0.65) 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