SCHEMBL6198013

SCHEMBL6198013

COc1cccc(C#CC(Oc2nsnc2[C@H]2CN3CCC[C@H]2C3)C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.51
CHRM1 P11229 8/20 0.51

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
SCHEMBL6197283 1.00 CHRM2 (0.51) CHRM2CHRM1
SCHEMBL6197118 0.95 CHRM2 (0.50) CHRM2CHRM1
SCHEMBL6200402 0.92 CHRM2 (0.53) CHRM2CHRM1
SCHEMBL6194522 0.89 CHRM2 (0.52) CHRM2CHRM1
SCHEMBL6197932 0.89 CHRM2 (0.52) CHRM2CHRM1
SCHEMBL6199236 0.89 CHRM2 (0.65) CHRM2CHRM1
SCHEMBL6195829 0.84 CHRM2 (0.49) CHRM2CHRM1
SCHEMBL6197214 0.84 CHRM2 (0.53) CHRM2CHRM1
SCHEMBL6196127 0.84 CHRM2 (0.49) CHRM2CHRM1
SCHEMBL6197280 0.84 CHRM2 (0.51) CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977755-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2005-07-13 EP claimed
EP-0977755-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2005-07-13 EP disclosed
US-6015813-A USEFUL IN TREATING A DISEASE IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM. NOVO NORDISK A/S (DK) 2000-01-18 US disclosed