SCHEMBL9502240

SCHEMBL9502240

CCCCC(=O)C1=CCCN(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.71
CHRNA4 P43681 1/20 0.71
CHRM2 P08172 6/20 0.53
CHRM4 P08173 6/20 0.53
CHRM5 P08912 6/20 0.53
CHRM1 P11229 6/20 0.53
CHRM3 P20309 6/20 0.53
LMNA P02545 2/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
PMP22 Q01453 1/20 0.47

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
Oxalic Acid SCHEMBL9568921 0.97 CHRNB2 (0.67) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9568993 0.95 CHRNB2 (0.69) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9569029 0.90 CHRNB2 (0.75) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL9569057 0.89 CHRNB2 (0.73) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Arecolon SCHEMBL1538394 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9569063 0.82 CHRNB2 (0.59) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Arecolon SCHEMBL9568942 0.81 CHRNB2 (0.96) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9504121 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9504116 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9502363 0.76 CHRNB2 (0.59) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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 7 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 disclosed
EP-0537993-A1 Nicotinic activity of a series of arecolones and isoarecolones ELI LILLY AND COMPANY (US) 1993-04-21 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
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 US disclosed