SCHEMBL6207761

SCHEMBL6207761

CC1C(NC(=O)c2ccc(Cl)cc2)C2CCN1C2.O=C(NC1CN2CCC1C2)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.65
HTR3E A5X5Y0 1/20 0.65
HTR3B O95264 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
HTR3A P46098 1/20 0.65
HTR3D Q70Z44 1/20 0.65
HTR3C Q8WXA8 1/20 0.65
GAA P10253 1/20 0.53
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6207641 0.90 GAA (0.63) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6209105 0.86 CHRNA7 (0.86) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6207630 0.83 CHRNA7 (0.56) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5373596 0.83 CHRNA7 (0.56) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6209935 0.82 CHRNA7 (0.74) CHRNA7HTR3EHTR3BALOX15TSHR
Pnu-282987 SCHEMBL677422 0.80 CHRNA7 (1.00) CHRNA7HTR3EHTR3BALOX15TSHR
Pnu-282987 SCHEMBL6208420 0.80 CHRNA7 (1.00) CHRNA7HTR3EHTR3BALOX15TSHR
Pnu-282987 SCHEMBL10436185 0.80 CHRNA7 (1.00) CHRNA7HTR3EHTR3BALOX15TSHR
Fumaric Acid SCHEMBL6673657 0.80 CHRNA7 (0.74) CHRNA7HTR3EHTR3BALOX15TSHR
Fumaric Acid SCHEMBL6236724 0.80 CHRNA7 (0.74) CHRNA7HTR3EHTR3BALOX15TSHR

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-1389208-B1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN CO LLC (US) 2005-12-28 EP claimed