SCHEMBL9014553

SCHEMBL9014553

N#CNC1=NCCN1Cc1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.60
CHRNA1 P02708 2/20 0.60
CHRNB2 P17787 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA4 P43681 1/20 0.60
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20881161 0.80 CHRNA7 (0.60) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL22279 0.79 CHRNA1 (0.59) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL29373384 0.79 CHRNA1 (0.59) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL15690487 0.79 CHRNA1 (0.59) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL28630962 0.78 CHRNA1 (0.57) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL28312357 0.78 CHRNA1 (0.57) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL28213953 0.78 CHRNA1 (0.57) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL28262565 0.78 CHRNA1 (0.57) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL28288562 0.77 CHRNA1 (0.56) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4
Desnitroimidacloprid SCHEMBL29823081 0.75 CHRNB2 (1.00) CHRNA7CHRNA1CHRNB2CHRNA3CHRNA4

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 4 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
US-5547965-A TREATMENT AND PREVENTION OF SENILE, PRESENILE, AND ALZHEIMER'S DEMENTIA, AND DEPRESSION BAYER AKTIENGESELLSCHAFT (DE) 1996-08-20 US disclosed
EP-0679397-A2 Use of substituted amines for the treatment of cerebral insufficiencies BAYER AG (DE) 1995-11-02 EP disclosed