SCHEMBL9502363

SCHEMBL9502363

CN1CCC=C(C(=O)CCc2ccccc2)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PMP22 Q01453 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL10657365 0.83 NPC1 (0.48) NPC1TDP1ALDH1A1KEAP1HPGD
SCHEMBL9502374 0.81 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9502900 0.81 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9502240 0.76 CHRNB2 (0.71) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Arecolon SCHEMBL9568942 0.73 CHRNB2 (0.96) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL9569039 0.72 CHRNB2 (0.56) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL10742031 0.70 XDH (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL10742024 0.70 XDH (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL9568916 0.70 CHRNB2 (0.66) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL10163014 0.68 NPC1 (0.73) NPC1TDP1ALDH1A1HPGDSMN1; SMN2

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 6 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
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