SCHEMBL7687946

SCHEMBL7687946

COc1ncccc1-c1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)s1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 17/20 0.49
CHRNB2 P17787 6/20 0.49
CHRNA4 P43681 6/20 0.49
HDAC6 Q9UBN7 1/20 0.40
HTR3E A5X5Y0 5/20 0.39
HTR3B O95264 5/20 0.39
HTR3A P46098 5/20 0.39
HTR3D Q70Z44 5/20 0.39
HTR3C Q8WXA8 5/20 0.39

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
SCHEMBL7060558 0.84 CHRNA7 (0.67) CHRNA7CHRNB2CHRNA4HDAC6HTR3E
SCHEMBL7540721 0.83 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4
SCHEMBL6804367 0.82 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4HDAC6HTR3E
SCHEMBL7057901 0.82 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4HDAC6HTR3E
SCHEMBL7061685 0.81 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7064139 0.81 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7593599 0.80 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4
SCHEMBL7063912 0.80 CHRNA7 (0.64) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7062672 0.80 CHRNA7 (0.48) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL7062719 0.80 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4HTR3EHTR3B

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-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed