SCHEMBL844245

SCHEMBL844245

O=C(N[C@@H]1CC2CCN(C2)C1)c1cc2ccsc2cn1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.84
HTR3A P46098 4/20 0.58
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL843304 1.00 CHRNA7 (0.84) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843303 1.00 CHRNA7 (0.84) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844081 0.95 CHRNA7 (0.76) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843611 0.92 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843610 0.92 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842662 0.86 CHRNA7 (0.90) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6844342 0.84 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5918006 0.82 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL10280323 0.82 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6394554 0.82 CHRNA7 (0.67) 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 disclosed