SCHEMBL5227663

SCHEMBL5227663

Cc1coc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.42
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SLC6A3 Q01959 5/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
MAPK14 Q16539 3/20 0.34
CHRNA1 P02708 2/20 0.34
CHRNG P07510 2/20 0.34
ITGA5 P08648 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRND Q07001 2/20 0.34
KDM1A O60341 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
SCHEMBL14608827 1.00 CHRNA7 (0.42) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL5227648 0.91 CHRNA7 (0.52) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL14608860 0.91 CHRNA7 (0.52) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL6480920 0.80 CHRNA7 (0.40) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL5231121 0.80 CHRNA7 (0.38) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL6489366 0.80 CHRNA7 (0.42) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL5226254 0.80 CHRNA7 (0.39) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL5229487 0.79 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL14608939 0.79 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3HTR3EHTR3B
SCHEMBL7124744 0.79 DRD4 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C

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