SCHEMBL842630

SCHEMBL842630

O=C(N[C@@H]1CC2CCN(C2)C1)c1cnc2ccsc2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.72
HTR3A P46098 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HPGDS O60760 5/20 0.42
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL843074 1.00 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL843075 1.00 CHRNA7 (0.72) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL842612 0.95 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL5917956 0.84 CHRNA7 (1.00) CHRNA7SMYD3
SCHEMBL5917955 0.84 CHRNA7 (1.00) CHRNA7SMYD3
SCHEMBL843821 0.83 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL843822 0.83 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL843214 0.82 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6489429 0.81 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6489424 0.81 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BCHRNB4

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