SCHEMBL21540366

SCHEMBL21540366

C1NC2CC1N(C1COC1)C2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.42
CHRNA4 P43681 6/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
CHRNB4 P30926 1/20 0.33

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
SCHEMBL18123247 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13931096 0.82 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13931103 0.82 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL2549836 0.80 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL17447332 0.80 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL72238 0.78 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL24323607 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL34474751 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL6134116 0.75 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13931093 0.75 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277687-B1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES OR CANCER Celon Pharma Sa (PL) 2019-10-30 EP disclosed