SCHEMBL22296241

SCHEMBL22296241

CN1CC2CCN(C=O)C2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 2/20 0.35
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL26396812 0.72 HRH3 (0.46) HRH3KCNH2
SCHEMBL14083906 0.72 HRH3 (0.46) HRH3KCNH2
SCHEMBL8164081 0.72 HRH3 (0.46) HRH3KCNH2
SCHEMBL17888356 0.72 HRH3 (0.46) HRH3KCNH2
SCHEMBL17001735 0.71 MEN1 (0.46) MEN1KMT2A
SCHEMBL22296394 0.71 HRH3 (0.40) HRH3
SCHEMBL20065975 0.70 HRH3 (0.44) HRH3KCNH2
SCHEMBL24859530 0.68 HRH3 (0.43) HRH3KCNH2
SCHEMBL22313613 0.68 HRH3 (0.43) HRH3KCNH2
SCHEMBL28329281 0.68 HRH3 (0.44) HRH3KCNH2

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-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed