SCHEMBL7706506

SCHEMBL7706506

CC(=O)Nc1ccc(O)cc1Sc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.40
ALDH1A1 P00352 5/20 0.39
BLM P54132 2/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 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
SCHEMBL6878971 0.87 CHRNA7 (0.45) CHRNA7ALDH1A1BLMMAPTPOLB
SCHEMBL7703033 0.84 CHRNA7 (0.40) CHRNA7ALDH1A1BLMCHRNB2CHRNA4
SCHEMBL6875100 0.84 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4
SCHEMBL6882524 0.83 CHRNA7 (0.47) CHRNA7ALDH1A1POLBMEN1KMT2A
SCHEMBL6884636 0.80 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4
SCHEMBL6883155 0.80 CHRNA7 (0.47) CHRNA7ALDH1A1CHRNB2CHRNA4MAPT
SCHEMBL6882840 0.79 CHRNA7 (0.49) CHRNA7ALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL6872595 0.79 CHRNA7 (0.48) CHRNA7CHRNB2CHRNA4
SCHEMBL6879586 0.79 CHRNA7 (0.41) CHRNA7ALDH1A1CHRNB2CHRNA4
SCHEMBL6881020 0.79 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486172-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF BENZAMIDE OR BENZOCARBONYLSULFIDE SUBSTITUTED 1-AZABICYCLO(2,2,2)OCT-3-YL COMPOUNDS TO TREAT THE CONDITIONS ASSOCIATED WITH DEFECTS OF NICOTINIC SUBTYPES BRAIN RECEPTORS PHARMACIA & UPJOHN COMPANY 2002-11-26 US claimed
WO-2002016357-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed