Sugi Predict

Sugi Predict / Compounds / SCHEMBL7708662

SCHEMBL7708662

SCHEMBL7708662

COc1cnc(Oc2ccc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc2)o1.C[C@H]1[C@H](NC(=O)c2ccc(Oc3ncc(C(F)(F)F)o3)cc2)C2CCN1CC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.42
▸ CHRNA4 P43681 7/20 0.42
▸ CHRNA7 P36544 6/20 0.42
▸ PTK2 Q05397 4/20 0.35
▸ SLC6A5 Q9Y345 6/20 0.35

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
SCHEMBL6879154 0.94 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7SLC6A5
SCHEMBL7676441 0.93 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7
SCHEMBL6882528 0.93 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7
SCHEMBL6881335 0.86 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7
SCHEMBL6884939 0.83 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7SLC6A5
SCHEMBL6882627 0.82 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7
SCHEMBL6882089 0.81 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7SLC6A5
SCHEMBL6884988 0.81 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7SLC6A5
SCHEMBL6874486 0.81 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7
SCHEMBL6874478 0.81 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7

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
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