SCHEMBL10461571

SCHEMBL10461571

N#CC(CC1CCCNC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.51
CHRM2 P08172 2/20 0.51
CHRM1 P11229 2/20 0.51
KMT2A Q03164 1/20 0.45
KCNA3 P22001 4/20 0.44

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
Fumaric Acid SCHEMBL10461342 0.90 KMT2A (0.46) CHRM3CHRM2CHRM1KMT2AKCNA3
SCHEMBL10460822 0.86 CHRM3 (0.38) CHRM3CHRM2CHRM1
SCHEMBL8880121 0.81 CHRM3 (0.56) CHRM3CHRM2CHRM1KCNA3
SCHEMBL9372375 0.79 KMT2A (0.50) CHRM3CHRM2CHRM1KMT2A
SCHEMBL10718310 0.73 CHRM3 (0.54) CHRM3CHRM2CHRM1KMT2A
SCHEMBL12794687 0.73 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL3974183 0.73 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL4756747 0.73 CHRM3 (0.47) CHRM3CHRM2CHRM1KCNA3
SCHEMBL8424963 0.73 DRD2 (0.40) KMT2AKCNA3
SCHEMBL10316374 0.73 CHRM3 (0.61) CHRM3CHRM2CHRM1

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
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed