SCHEMBL6667667

SCHEMBL6667667

CN1CCCC1CCN1C(=O)c2cccc(NC(=O)C3=CC(Cl)=CCC3=S)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
CHRM3 P20309 19/20 0.45

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
SCHEMBL6217132 0.85 ACHE (0.57) ACHECHRM3
SCHEMBL6217771 0.85 ACHE (0.53) ACHECHRM3
SCHEMBL6216452 0.85 CHRM3 (0.42) CHRM3
SCHEMBL6218397 0.85 NR1I2 (0.41) CHRM3
SCHEMBL6217139 0.85 CHRM3 (0.42) CHRM3
SCHEMBL6214274 0.84 ACHE (0.51) ACHECHRM3
SCHEMBL6218160 0.84 CHRM3 (0.40) CHRM3
SCHEMBL6218958 0.82 ACHE (0.55) ACHE
SCHEMBL6215019 0.80 KMT2A (0.42) ACHE
SCHEMBL5781219 0.80 ACHE (0.39) ACHE

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
EP-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 WO disclosed