SCHEMBL7214018

SCHEMBL7214018

CCOC(=O)N1CCc2ccccc2C1c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
BRD4 O60885 2/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
NOTUM Q6P988 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1696394 0.82 CHRM3 (0.60) ESR1ESR2
SCHEMBL1404035 0.82 CHRM3 (0.60) ESR1ESR2
SCHEMBL12046708 0.82 CHRM3 (0.60) ESR1ESR2
SCHEMBL13041647 0.82 CHRM3 (0.60) ESR1ESR2
SCHEMBL7209235 0.81 HHAT (0.47) ESR1ESR2
SCHEMBL7209587 0.80 TRPM8 (0.53) ESR1ESR2
SCHEMBL11898456 0.80 CHRM3 (0.44) KMT2AESR1ESR2
SCHEMBL7210566 0.80 CHRM3 (0.52) ESR1ESR2
SCHEMBL22784241 0.78 CHRM3 (0.62) ESR1ESR2
SCHEMBL7213954 0.78 CHRM3 (0.62) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801067-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6174896-B1 MUSCARINIC RECEPTOR ANTAGONISTIC ACTIVITY; FOR THERAPY AND PROPHYLAXIS FOR UROLOGIC DISEASES, RESPIRATORY DISEASES OR DIGESTIVE DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-16 US disclosed
US-6017927-A Quinuclidine derivatives and medicinal composition thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0801067-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-15 EP disclosed