SCHEMBL9014867

SCHEMBL9014867

O=[N+]([O-])N=C1CCCCN1Cc1ccc(Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.55
CHRNA3 P32297 2/20 0.55
CHRNA7 P36544 2/20 0.55
ALDH1A1 P00352 2/20 0.52
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CASP6 P55212 1/20 0.49

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
SCHEMBL9014864 1.00 CHRNA1 (0.55) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL9069342 1.00 CHRNA1 (0.55) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL9070393 0.98 CHRNA1 (0.55) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL9070395 0.98 CHRNA1 (0.55) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL9070406 0.83 CHRNA1 (0.39) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL9070405 0.83 CHRNA1 (0.39) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL10428365 0.82 ALDH1A1 (0.57) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL5197319 0.82 ALDH1A1 (0.57) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL8113019 0.80 CHRNA1 (0.66) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2
SCHEMBL676764 0.80 CHRNA1 (0.66) CHRNA1CHRNA3CHRNA7ALDH1A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547965-A TREATMENT AND PREVENTION OF SENILE, PRESENILE, AND ALZHEIMER'S DEMENTIA, AND DEPRESSION BAYER AKTIENGESELLSCHAFT (DE) 1996-08-20 US claimed
EP-0679397-A2 Use of substituted amines for the treatment of cerebral insufficiencies BAYER AG (DE) 1995-11-02 EP claimed
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP claimed
EP-0431362-B1 Stabilized agrochemical compositions BAYER AGROCHEM KK (JP) 1993-11-03 EP claimed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
US-5547965-A TREATMENT AND PREVENTION OF SENILE, PRESENILE, AND ALZHEIMER'S DEMENTIA, AND DEPRESSION BAYER AKTIENGESELLSCHAFT (DE) 1996-08-20 US disclosed
US-5521176-A Agrochemical compositions containing certain N-heterocycligs, compounds and stabilizer NIHON BAYER AGROCHEM K.K. (JP) 1996-05-28 US disclosed
EP-0679397-A2 Use of substituted amines for the treatment of cerebral insufficiencies BAYER AG (DE) 1995-11-02 EP disclosed
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP disclosed
US-5260312-A A heterocyclic compound, organophosphorous compounds and one or more compounds having polyethylene glycol or polypropylene glycol or their copolymer NIHON BAYER AGROCHEM K.K. (JP) 1993-11-09 US disclosed
EP-0431362-B1 Stabilized agrochemical compositions BAYER AGROCHEM KK (JP) 1993-11-03 EP disclosed
US-5165934-A Heterocyclic compounds, organophosphorous compounds, amorphous silica; insecticides, fungicides NIHON BAYER AGROCHEM K.K. (JP) 1992-11-24 US disclosed
US-5140019-A Mixtures of substituted imidazolines and organophosphorus compounds with polyether stabilizers NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-08-18 US disclosed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP disclosed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP disclosed