SCHEMBL5227624

SCHEMBL5227624

CCc1coc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.36
HTR3A P46098 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SLC6A3 Q01959 1/20 0.33
SMYD3 Q9H7B4 4/20 0.33
CHRM1 P11229 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
SCHEMBL6260041 1.00 CHRNA7 (0.36) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL5917943 0.99 CHRNA7 (0.35) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5231801 0.88 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5229421 0.86 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5226820 0.86 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5229781 0.85 CHRNA7 (0.35) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6382564 0.85 CHRNA7 (0.35) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL5917851 0.84 CHRNA7 (0.35) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917860 0.83 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842775 0.83 CHRNA7 (0.36) 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-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP claimed