SCHEMBL8848017

SCHEMBL8848017

BrCC#CCCN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL965536 0.73 HRH3 (0.46) HRH3POLBLMNAMAPTKMT2A
SCHEMBL11170870 0.71 HRH3 (0.44) HRH3POLBLMNAMAPTKMT2A
SCHEMBL17552000 0.71 HRH3 (0.48) HRH3POLBLMNAMAPTKMT2A
SCHEMBL967849 0.71 HRH3 (0.48) HRH3POLBLMNAMAPTKMT2A
SCHEMBL12128803 0.69 CHRM5 (0.47) HRH3POLBMAPTKMT2A
SCHEMBL989862 0.68
SCHEMBL25433068 0.67 POLB (0.48) HRH3POLBLMNAMAPTKMT2A
SCHEMBL2840150 0.67
SCHEMBL7286457 0.67 HRH3 (0.50) HRH3POLBLMNAMAPTKMT2A
SCHEMBL3770379 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637731-A CHOLINERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-10 US disclosed
US-5550257-A TREATING CENTRAL CHOLINERGIC DYSFUNCTION AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
US-5451685-A MANUFACTURING PHARMACEUTICALS AMERICAN CYANAMID COMPANY (US) 1995-09-19 US disclosed
US-5356885-A Cholinergic agents; administering for treatment of diseases of the central nervous system AMERICAN CYANAMID COMPANY (US) 1994-10-18 US disclosed
EP-0510333-A1 Substituted oxotremorine derivatives AMERICAN CYANAMID COMPANY (US) 1992-10-28 EP disclosed