SCHEMBL9503697

SCHEMBL9503697

CC#CCCC(=NO)C1=CCCN(C)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.39
BLM P54132 1/20 0.39
MCOLN3 Q8TDD5 1/20 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
SCHEMBL9503691 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL9506150 0.84 CHRM2 (0.50) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL9506147 0.84 CHRM2 (0.50) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL9504116 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL9504121 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL10564077 0.77 CHRNB2 (0.60) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL10564080 0.77 CHRNB2 (0.60) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL9502492 0.77 CHRM2 (0.54) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL9502484 0.77 CHRM2 (0.54) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL10566192 0.76 CHRNB2 (0.44) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291673-B1 TETRAHYDROPYRIDINE OXIMES, A PROCESS FOR THEIR PREPARATION AND USE THEREOF AS CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-06-02 EP claimed
US-4929734-A ANTIINFLAMMATORY AGENTS, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US claimed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US claimed
EP-0291673-B1 TETRAHYDROPYRIDINE OXIMES, A PROCESS FOR THEIR PREPARATION AND USE THEREOF AS CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-06-02 EP disclosed
US-5073561-A N-substituted-pyridinyl oximes WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
US-4929734-A ANTIINFLAMMATORY AGENTS, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US disclosed
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP disclosed